8D3O
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-methoxyquinolin-4-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1159 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.104, 115.045, 122.167 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 83.750 - 2.250 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bv6 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.462 |
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] | 122.170 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.075 | 0.982 |
Rmeas | 0.079 | 1.030 |
Rpim | 0.023 | 0.306 |
Number of reflections | 61381 | 4438 |
<I/σ(I)> | 17.7 | 2.1 |
Completeness [%] | 99.6 | 99 |
Redundancy | 11.2 | 11.1 |
CC(1/2) | 0.999 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1 M Tris, pH 8.5, 0.38 M Li2SO4, 25% PEG3350 |