4JEV
N-acetylornithine aminotransferase from S. typhimurium complexed with gabaculine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-01-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.660, 111.860, 65.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.690 - 1.670 |
R-factor | 0.16423 |
Rwork | 0.163 |
R-free | 0.18807 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pb0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.258 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.810 | 36.690 | 1.760 |
High resolution limit [Å] | 1.670 | 5.270 | 1.670 |
Rmerge | 0.106 | 0.050 | 0.570 |
Number of reflections | 82245 | ||
<I/σ(I)> | 15.4 | 45.3 | 3.1 |
Completeness [%] | 98.6 | 99.7 | 90.7 |
Redundancy | 6.8 | 7.1 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 10% PEG 3350, 0.5M ammonium acetate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |