8HON
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Tyr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.673, 148.281, 64.703 |
Unit cell angles | 90.00, 99.90, 90.00 |
Refinement procedure
Resolution | 39.710 - 2.010 |
R-factor | 0.1812 |
Rwork | 0.179 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.140 | 2.120 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.063 | 0.369 |
Rmeas | 0.080 | 0.467 |
Rpim | 0.048 | 0.282 |
Total number of observations | 166536 | 25375 |
Number of reflections | 66199 | 9974 |
<I/σ(I)> | 7.6 | 2.5 |
Completeness [%] | 91.6 | |
Redundancy | 2.5 | 2.5 |
CC(1/2) | 0.995 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350 |