5HYG
CmlI (peroxo bound state), arylamine oxygenase of chloramphenicol biosynthetic pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97926 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 56.539, 56.539, 150.474 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.000 - 2.030 |
R-factor | 0.19038 |
Rwork | 0.185 |
R-free | 0.25114 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3chh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.235 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (v2.5.0) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.081 | 0.408 |
Number of reflections | 15532 | |
<I/σ(I)> | 29 | 6.9 |
Completeness [%] | 88.4 | 82.8 |
Redundancy | 5.5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 1500, L-(+)-ammonium tartrate |