8BWN
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I23 |
Synchrotron site | Diamond |
Beamline | I23 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-17 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 3.09187 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.574, 89.178, 97.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.860 - 2.570 |
R-factor | 0.2529 |
Rwork | 0.252 |
R-free | 0.28290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.411 |
Data reduction software | autoPROC (1.0.5 (20211020)) |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.860 | 2.845 |
High resolution limit [Å] | 2.567 | 2.567 |
Rmerge | 0.092 | 1.590 |
Rmeas | 0.097 | 1.674 |
Rpim | 0.029 | 0.520 |
Number of reflections | 12005 | 600 |
<I/σ(I)> | 13.5 | 1.3 |
Completeness [%] | 72.0 | 13.9 |
Redundancy | 10.2 | 10.1 |
CC(1/2) | 0.998 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 100 mM CaCl2, 0.1 M MOPS/HEPES-Na pH 7.5 |