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Table 2 Data collection and refinement statistics for the GDF-5 R57A:BMPR-IA complex structure

From: GDF-5 can act as a context-dependent BMP-2 antagonist

Processing  
Space group I2
Unit cell a = 63.81 Å, b = 62.85 Å, c = 124.99 Å α = γ = 90 °, β = 95.85 °
Wavelength (Å) 1.5418
Resolution (Å) 24.0–2.28 (2.40–2.28)
No. reflections 51,824 (7,550)
No. unique reflections 22,044 (3,177)
Rmerge 0.066 (0.384)
<(I)/σ (I)> 7.4 (2.0)
Completeness (%) 97.8 (97.4)
Redundancy 2.4 (2.4)
Refinement  
Resolution (Å) 23.8–2.28 (2.34–2.28)
R work/R free (%) 19.7 (25.8)/24.1 (34.4)
Correlation coefficient (Fobs-Fcalc)free 0.938
Coordinate error (ESU) based Rfree 0.218 Å
Number atoms  
 Protein 3,015
 Water 93
R.m.s. deviations  
 Bond length (Å) 0.013
 Bond angles (°) 1.457
 Torsion angles (°)b 8.345
 Torsion angles (°)c 19.839
TLS 4 groups GDF-5 R57A (chain A + C, residues 11–115, 10–115) BMPR-IA (chain B + D, residues 31–118, 31–119)
Ramachandran analysisd  
Number of residues in favored region 363 (95.5 %)
Number of residues in allowed region 16 (4.2 %)
Number of residues in outlier region 1 (0.3 %)
  1. Values in parentheses are for the highest-resolution shell
  2. aOne crystal was used to collect the diffraction data