3U0B
Crystal structure of an oxidoreductase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-10 |
| Detector | Saturn 944+ |
| Wavelength(s) | 1.5 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.730, 58.220, 76.880 |
| Unit cell angles | 90.00, 127.82, 90.00 |
Refinement procedure
| Resolution | 47.310 - 1.700 |
| R-factor | 0.138 |
| Rwork | 0.137 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lls |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.505 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 | |
| High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
| Rmerge | 0.053 | 0.047 | 0.193 |
| Number of reflections | 39290 | 472 | 2754 |
| <I/σ(I)> | 28.83 | 65.1 | 5.6 |
| Completeness [%] | 98.8 | 97.7 | 93.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | MysmA.00010.a at 29.8 mg/ml, 25% PEG 1500, 0.1 M MMT, pH 6.0 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
