5KOW
Structure of rifampicin monooxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2015-10-18 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 81.489, 81.489, 282.224 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 63.118 - 2.100 |
R-factor | 0.1892 |
Rwork | 0.187 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k2x |
RMSD bond length | 0.006 |
RMSD bond angle | 0.829 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.120 | 63.120 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.103 | 0.032 | 0.530 |
Number of reflections | 61187 | ||
<I/σ(I)> | 25.6 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 19.7 | 16.1 | 16.9 |
CC(1/2) | 0.999 | 0.999 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | The reservoir contained 2.4 M sodium acetate trihydrate at pH 7.0 |