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

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)

R_merge

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 (F_obs-F_calc)_free

0.938

Coordinate error (ESU) based R_free

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 analysis^d

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 %)