8GAB
Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 175.749, 33.604, 74.474 |
Unit cell angles | 90.00, 101.15, 90.00 |
Refinement procedure
Resolution | 24.950 - 2.720 |
R-factor | 0.2496 |
Rwork | 0.247 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.327 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.820 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.087 | 0.890 |
Number of reflections | 11876 | 1237 |
<I/σ(I)> | 10.35 | 2.08 |
Completeness [%] | 99.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 22% (w/v) PEG 3350 and 0.2 M KCl |