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 |
