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 |