8U3N
Structure of P450Blt from Micromonospora sp. MW-13
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 | 2021-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95365 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.078, 95.748, 105.217 |
Unit cell angles | 90.00, 92.63, 90.00 |
Refinement procedure
Resolution | 47.870 - 2.150 |
R-factor | 0.1951 |
Rwork | 0.194 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.084 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.870 | 2.227 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.061 | 0.355 |
Number of reflections | 65730 | 6446 |
<I/σ(I)> | 5.63 | 0.98 |
Completeness [%] | 99.6 | |
Redundancy | 2 | |
CC(1/2) | 0.994 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.1M Bis-Tris pH 7, 22% PEG3350, 0.05 KSCN |