6VZA
Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.954 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 42.228, 91.310, 93.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.230 - 1.470 |
R-factor | 0.1558 |
Rwork | 0.154 |
R-free | 0.18010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vxv |
RMSD bond length | 0.010 |
RMSD bond angle | 1.210 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.650 | 1.490 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.080 | 1.061 |
Rmeas | 0.087 | 1.148 |
Rpim | 0.033 | 0.434 |
Number of reflections | 61898 | 2874 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 98.7 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.679 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M calcium chloride, 20% w/v PEG3350 |