Table 1.

Data collection and refinement statistics

 Crystal ID Unliganded form RGD peptide complex 
Data collection Space group PP
 Cell constant a = 93.0, b = 102.8, c = 125.1 Å; α = 76.1°, β = 70.2°, γ = 71.3° a = 92.8, b = 103.9, c = 125.3 Å; α = 75.7°, β = 70.2°, γ = 70.9° 
 Resolution 100–2.90 (3.00–2.90) 100–2.90 (3.00–2.90) 
 Unique reflection 91,525 90,587 
 Completeness (%) 98.8 (98.3) 98.9 (98.4) 
 Rsym (%) 6.1 (46.2) 7.6 (49.5) 
 <I/σI> 11.5 (2.1) 9.4 (2.0) 
 Multiplicity 2.6 (2.6) 3.8 (3.8) 
Refinement Resolution 100–2.90 (2.98–2.90) 100–2.90 (2.98–2.90) 
 Rwork (%) 21.1 (32.8) 21.5 (33.0) 
 Rfree (%) 26.8 (38.4) 27.4 (39.0) 
 RMSDs from ideal values   
 Bond length (Å) 0.007 0.007 
 Bond angle (degree) 1.252 1.289 
 Mean B value (Å271.8 69.9 
 Ramachandran plot   
 Favored region (%) 91.8 90.8 
 Outliers (%) 0.9 1.1 
 Crystal ID Unliganded form RGD peptide complex 
Data collection Space group PP
 Cell constant a = 93.0, b = 102.8, c = 125.1 Å; α = 76.1°, β = 70.2°, γ = 71.3° a = 92.8, b = 103.9, c = 125.3 Å; α = 75.7°, β = 70.2°, γ = 70.9° 
 Resolution 100–2.90 (3.00–2.90) 100–2.90 (3.00–2.90) 
 Unique reflection 91,525 90,587 
 Completeness (%) 98.8 (98.3) 98.9 (98.4) 
 Rsym (%) 6.1 (46.2) 7.6 (49.5) 
 <I/σI> 11.5 (2.1) 9.4 (2.0) 
 Multiplicity 2.6 (2.6) 3.8 (3.8) 
Refinement Resolution 100–2.90 (2.98–2.90) 100–2.90 (2.98–2.90) 
 Rwork (%) 21.1 (32.8) 21.5 (33.0) 
 Rfree (%) 26.8 (38.4) 27.4 (39.0) 
 RMSDs from ideal values   
 Bond length (Å) 0.007 0.007 
 Bond angle (degree) 1.252 1.289 
 Mean B value (Å271.8 69.9 
 Ramachandran plot   
 Favored region (%) 91.8 90.8 
 Outliers (%) 0.9 1.1 

Values for highest resolution shell are given in parentheses.

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