6PRX
oxidized Human Branched Chain Aminotransferase mutant C318A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-01 |
Detector | DECTRIS PILATUS3 R CdTe 300K |
Wavelength(s) | 1.54180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.204, 104.938, 106.294 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.460 - 3.250 |
R-factor | 0.2218 |
Rwork | 0.220 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hgw |
RMSD bond length | 0.002 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.280 |
High resolution limit [Å] | 3.220 | 3.220 |
Rpim | 0.040 | 0.214 |
Number of reflections | 12545 | 586 |
<I/σ(I)> | 11.85 | |
Completeness [%] | 99.1 | 92.9 |
Redundancy | 8.8 | |
CC(1/2) | 0.871 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 200 mM magnesium acetate tetrahydrate, 100 mM sodium cacodylate trihydrate pH6.5, 20% w/v polyethylene glycol 8,000 |