5KOX
Structure of rifampicin monooxygenase complexed with rifampicin
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 | 2016-04-24 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 81.439, 81.439, 287.354 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.793 - 1.800 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.21510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k2x |
RMSD bond length | 0.015 |
RMSD bond angle | 1.510 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.26) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.470 | 57.470 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.065 | 0.027 | 0.453 |
Number of reflections | 97168 | ||
<I/σ(I)> | 36.3 | ||
Completeness [%] | 98.4 | 98.3 | 83.9 |
Redundancy | 18.8 | 15.1 | 12.8 |
CC(1/2) | 1.000 | 1.000 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | The reservoir contained 17% (w/v) PEG 3350, 200 mM magnesium chloride, and 2.5% glycerol. The protein stock solution included 5 mM rifampicin |