3CEZ
Crystal structure of methionine-R-sulfoxide reductase from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.093, 45.782, 45.812 |
| Unit cell angles | 87.35, 83.22, 69.36 |
Refinement procedure
| Resolution | 31.420 - 2.100 |
| R-factor | 0.17896 |
| Rwork | 0.176 |
| R-free | 0.23367 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l1d |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.248 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.420 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.340 |
| Number of reflections | 17575 | |
| <I/σ(I)> | 9.21 | 2.8 |
| Completeness [%] | 94.6 | 85.1 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 15% Ethanol, 100 mM MES pH 6.0, 200 mM Zn(OAc)2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
