3JST
Crystal structure of transcriptional coactivator/pterin dehydratase from Brucella Melitensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-31 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 53.759, 85.498, 50.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dch |
RMSD bond length | 0.006 |
RMSD bond angle | 0.879 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.500 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.085 | 0.233 |
Number of reflections | 14045 | |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.1 | 85.7 |
Redundancy | 6.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | HAMPTON CRYSTAL SCREEN HT CONDITION G6. 100 MM HEPES PH 7.5, 10% PEG 6000, 5% MPD. PROTEIN CONCENTRATION 23 MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 293K |