3QI6
Crystal Structure of Cystathionine gamma-synthase MetB (Cgs) from Mycobacterium ulcerans Agy99
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-18 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.956, 106.924, 100.307 |
| Unit cell angles | 90.00, 113.67, 90.00 |
Refinement procedure
| Resolution | 44.468 - 1.910 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.24130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3NNP |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.086 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.468 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.910 | 4.110 | 1.910 |
| Rmerge | 0.103 | 0.063 | 0.263 |
| Number of reflections | 119042 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 98.1 | 99.9 | 89.4 |
| Redundancy | 5.2 | 6.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 25.5% PEG4000, 15% glycerol, 170 mM ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
