8BWM
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 (4042 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) | 3.06740 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.480, 89.263, 97.782 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.920 - 2.500 |
R-factor | 0.2249 |
Rwork | 0.222 |
R-free | 0.27810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.509 |
Data reduction software | XDS (Jan 10, 2022 (BUILT 20220110)) |
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] | 65.925 | 2.811 |
High resolution limit [Å] | 2.496 | 2.496 |
Rmerge | 0.119 | 1.507 |
Rmeas | 0.126 | 1.589 |
Rpim | 0.038 | 0.499 |
Number of reflections | 12362 | 618 |
<I/σ(I)> | 12.2 | 1.4 |
Completeness [%] | 68.3 | 11.7 |
Redundancy | 10 | 9.9 |
CC(1/2) | 0.996 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 12.1% w/v PEG 1000, 12.1% w/v PEG 3350, 12.1% v/v MPD, 97 mM CaCl2, 0.097 M Bicine/Trizma pH 8.5 |