8HNZ
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP
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 | 2022-10-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 91.475, 106.834, 42.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.160 - 1.500 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.058 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (0.97918) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.480 | 1.570 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.073 | 0.898 |
Rmeas | 0.078 | 0.980 |
Rpim | 0.026 | 0.380 |
Total number of observations | 601221 | 64171 |
Number of reflections | 68220 | 9701 |
<I/σ(I)> | 12.1 | 2.6 |
Completeness [%] | 98.8 | |
Redundancy | 8.8 | 6.6 |
CC(1/2) | 0.999 | 0.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 18-22% PEG3350 (w/v), 0.2 M CaCl2 |