5TI8
Crystal Structure of an aspartate aminotransferase from Pseudomonas
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 76.444, 95.429, 114.449 |
Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
Resolution | 47.700 - 2.070 |
R-factor | 0.18701 |
Rwork | 0.184 |
R-free | 0.23765 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a6t |
RMSD bond length | 0.017 |
RMSD bond angle | 1.741 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.700 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.107 | 0.773 |
Number of reflections | 49266 | |
<I/σ(I)> | 11.2 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 7.3 |
CC(1/2) | 0.997 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.066 M calcium acetate, 18 % w/v PEG MME 5K, 0.1 M tris chloride pH 7.6, protein at 10.5 mg/mL; 150 plus 150 nL drops at 293 K |