4F4E
Crystal structure of Aromatic-amino-acid aminotransferase from Burkholderia pseudomallei covalently bound to pyridoxal phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 134.920, 74.820, 85.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.1625 |
Rwork | 0.161 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eff |
RMSD bond length | 0.014 |
RMSD bond angle | 1.586 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.060 | 0.017 | 0.465 |
Number of reflections | 80481 | 1021 | 5781 |
<I/σ(I)> | 20.33 | 81.55 | 2.47 |
Completeness [%] | 99.7 | 98 | 98.7 |
Redundancy | 5 | 6.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Emerald Bio JCSG+ screen C1: 20% PEG8000, 100 mM phosphate/citrate, pH 4.2, 200 mM sodium chloride, 36.1 mg/mL BupsE.01471.a.A1 PW 34948 + 2.5 mM PLP, tray 233390c1, cryoprotectant: 10/20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 290K |