Table 1.
Refinement statist­­ics for KIR3DL1*005 and KIR3DL1*015
StatisticsKIR3DL1*005–HLA-B*57:01–LF9KIR3DL1*015–HLA-B*57:01–LF9
Data collection statistics  
Temperature (K) 100 100 
X-ray source MX2 Australian synchrotron MX2 Australian synchrotron 
Space group PP
Cell dimensions a = 51.6, b = 61.3, c = 66.4 α = 95.2, β = 100.2, γ = 108.2 a = 51.6, b = 61.1, c = 65.1, α = 95.6, β = 98.5 γ = 108.6 
Resolution (Å) 50–2.30 (2.42–2.30) 50–2.5 (2.64–2.50) 
Total no. observations 139,081 (20,784) 99,352 (14,846) 
No. unique observations 30,955 (4,571) 23,125 (3,419) 
Multiplicity 4.5 (4.5) 4.3 (4.3) 
Data completeness (%) 92.9 (95.0) 90.7 (91.5) 
1/σI 6.9 (3.6) 7.3 (3.7) 
Rmergea 0.144 (0.421) 0.188 (0.897) 
Refinement statistics   
Nonhydrogen atoms   
Protein 5,260 5,294 
Water 230 148 
Rfactorb 0.20 0.18 
Rfreeb 0.25 0.23 
rmsd from ideality   
Bond lengths (Å) 0.003 0.005 
Bond angles (°) 0.702 0.874 
Ramachandran plot   
Favored regions (%) 95.0 95.4 
Allowed regions (%) 5.0 4.6 
B-factors   
Mean main chain (Å2) 34 32 
Mean side chain (Å2) 38 37 
Mean water (Å2) 38 36 
StatisticsKIR3DL1*005–HLA-B*57:01–LF9KIR3DL1*015–HLA-B*57:01–LF9
Data collection statistics  
Temperature (K) 100 100 
X-ray source MX2 Australian synchrotron MX2 Australian synchrotron 
Space group PP
Cell dimensions a = 51.6, b = 61.3, c = 66.4 α = 95.2, β = 100.2, γ = 108.2 a = 51.6, b = 61.1, c = 65.1, α = 95.6, β = 98.5 γ = 108.6 
Resolution (Å) 50–2.30 (2.42–2.30) 50–2.5 (2.64–2.50) 
Total no. observations 139,081 (20,784) 99,352 (14,846) 
No. unique observations 30,955 (4,571) 23,125 (3,419) 
Multiplicity 4.5 (4.5) 4.3 (4.3) 
Data completeness (%) 92.9 (95.0) 90.7 (91.5) 
1/σI 6.9 (3.6) 7.3 (3.7) 
Rmergea 0.144 (0.421) 0.188 (0.897) 
Refinement statistics   
Nonhydrogen atoms   
Protein 5,260 5,294 
Water 230 148 
Rfactorb 0.20 0.18 
Rfreeb 0.25 0.23 
rmsd from ideality   
Bond lengths (Å) 0.003 0.005 
Bond angles (°) 0.702 0.874 
Ramachandran plot   
Favored regions (%) 95.0 95.4 
Allowed regions (%) 5.0 4.6 
B-factors   
Mean main chain (Å2) 34 32 
Mean side chain (Å2) 38 37 
Mean water (Å2) 38 36 
a

Rmerge = ∑hklj|Ihkl,j − <Ihkl>|/∑hklj Ihkl,j.

b

Rfactor = ∑hkl||Fo| − |Fc||/∑hkl|Fo| for all data excluding the 5% that comprised the Rfree used for cross-validation.

or Create an Account

Close Modal
Close Modal