7K14
Ternary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN and methanesulfonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.000, 211.930, 94.350 |
Unit cell angles | 90.00, 119.05, 90.00 |
Refinement procedure
Resolution | 81.160 - 2.750 |
R-factor | 0.1736 |
Rwork | 0.172 |
R-free | 0.21440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jv3 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.762 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.210 | 82.210 | 2.820 |
High resolution limit [Å] | 2.750 | 12.300 | 2.750 |
Rmerge | 0.083 | ||
Rmeas | 0.091 | ||
Rpim | 0.037 | ||
Number of reflections | 82800 | 962 | 5987 |
<I/σ(I)> | 11.7 | ||
Completeness [%] | 99.1 | 98.2 | 97 |
Redundancy | 5.8 | 5.9 | |
CC(1/2) | 0.998 | 0.997 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | PEG 3350, sodium succinate |