6JMW
Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-11 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.032, 148.362, 63.524 |
Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
Resolution | 48.020 - 1.850 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wsp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.521 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.020 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.104 | 1.824 |
Number of reflections | 90862 | |
<I/σ(I)> | 10.6 | 1.2 |
Completeness [%] | 98.9 | 98.7 |
Redundancy | 6.8 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan |