6WPL
Structure of Cytochrome P450tcu
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.420, 56.993, 189.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.417 - 2.097 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cp4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.870 | 2.160 |
High resolution limit [Å] | 2.097 | 2.097 |
Rmerge | 0.298 | 2.103 |
Rmeas | 0.330 | 2.380 |
Rpim | 0.139 | 1.084 |
Total number of observations | 8816 | |
Number of reflections | 23044 | 1754 |
<I/σ(I)> | 4.7 | 2.2 |
Completeness [%] | 98.6 | 94.7 |
Redundancy | 5.7 | 5 |
CC(1/2) | 0.939 | 0.293 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 50-100 mM Bis-Tris (pH=6.5), 100mM MgCl2.6H2O, 15-20% w/v PEG 3350 |