8D3G
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
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 | 2021-10-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.296, 110.969, 114.773 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.330 - 2.580 |
R-factor | 0.1964 |
Rwork | 0.194 |
R-free | 0.24160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kvh |
RMSD bond length | 0.003 |
RMSD bond angle | 0.545 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.430 | 2.690 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmerge | 0.106 | 0.775 |
Rmeas | 0.112 | 0.818 |
Rpim | 0.035 | 0.256 |
Number of reflections | 36184 | 4252 |
<I/σ(I)> | 14.3 | 3 |
Completeness [%] | 99.7 | |
Redundancy | 9.9 | |
CC(1/2) | 0.998 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1 M Tris, pH 8.5, 0.3 M Na2SO4, 20% PEG3350 |