7JYB
Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN
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 | 2020-02-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.200, 214.380, 95.200 |
Unit cell angles | 90.00, 119.13, 90.00 |
Refinement procedure
Resolution | 83.160 - 2.760 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jv3 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.555 |
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] | 83.160 | 83.160 | 2.830 |
High resolution limit [Å] | 2.760 | 12.320 | 2.760 |
Rmerge | 0.106 | 0.043 | 0.988 |
Rmeas | 0.116 | 0.047 | 1.078 |
Number of reflections | 83520 | 969 | 5925 |
<I/σ(I)> | 10.81 | 26.12 | 1.83 |
Completeness [%] | 98.1 | 97.8 | 94.1 |
Redundancy | 6.193 | 5.934 | 6.19 |
CC(1/2) | 0.997 | 0.998 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | PEG 3350, sodium succinate |