6M4P
Cytochrome P450 monooxygenase StvP2 substrate-bound structure
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 | 2019-11-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9879 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.638, 87.254, 78.789 |
Unit cell angles | 90.00, 112.28, 90.00 |
Refinement procedure
Resolution | 19.780 - 2.300 |
R-factor | 0.2238 |
Rwork | 0.222 |
R-free | 0.26910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oqr |
RMSD bond length | 0.004 |
RMSD bond angle | 0.909 |
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] | 19.780 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.120 | 0.605 |
Rmeas | 0.130 | 0.657 |
Rpim | 0.051 | 0.253 |
Number of reflections | 34238 | 3425 |
<I/σ(I)> | 11.6 | 2.57 |
Completeness [%] | 99.2 | 99.94 |
Redundancy | 6.5 | 6.7 |
CC(1/2) | 0.996 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Salt: 0.17M Ammonium acetate Buffer: 0.085M Sodium citrate tribasic dihydrate pH5.6 Precipitant: 24%w/v polyethylene glycol 4000 15% glycerol |