5OP8
Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.180, 86.180, 148.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.387 - 2.300 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h2k |
RMSD bond length | 0.012 |
RMSD bond angle | 0.664 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.470 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.148 | 1.229 |
Rpim | 0.046 | 0.374 |
Number of reflections | 25593 | 3657 |
<I/σ(I)> | 8.9 | 1.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.3 | 11.5 |
CC(1/2) | 0.995 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300 | 0.1M HEPES pH7.5, 1.4M ammonium sulfate, 4.5% PEG400 |