5L05
Crystal structure of catalase-peroxidase KATG of burkholderia pseudomallei treated with INH
Replaces: 1MWVExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-05-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.843 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.940, 115.620, 175.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.000 - 1.700 |
| R-factor | 0.148 |
| Rwork | 0.145 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1itk |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.689 |
| Data reduction software | DENZO (3.20) |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.500 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 199550 | |
| <I/σ(I)> | 13.5 | 2.7 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 3.3 | 3.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% PEG 4K, 20% MPD, 0.1 M SODIUM CITRATE, PH 5.6 |
