8HO1
Crystal structure of cytochrome P450 NasF5053 mutant F387G
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97854 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.107, 90.579, 95.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.500 - 2.000 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.929 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.530 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.115 | 0.583 |
Rmeas | 0.119 | 0.609 |
Rpim | 0.033 | 0.175 |
Total number of observations | 309677 | 21229 |
Number of reflections | 24919 | 1798 |
<I/σ(I)> | 18.5 | 4.7 |
Completeness [%] | 98.6 | |
Redundancy | 12.4 | 11.8 |
CC(1/2) | 0.999 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 18-22% PEG3350 (w/v), 0.2 M CaCl2 |