3R4T
Crystal structure of 4-aminobutyrate aminotransferase GabT from Mycobacterium marinum covalently bound to pyridoxal phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 123.620, 123.620, 157.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.1533 |
Rwork | 0.151 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oks |
RMSD bond length | 0.014 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.570 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.118 | 0.027 | 0.559 |
Number of reflections | 25245 | 349 | 1835 |
<I/σ(I)> | 15.33 | 38.41 | 3.74 |
Completeness [%] | 100.0 | 97.8 | 100 |
Redundancy | 8.9 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | MymaA.01026.b.A1 PW29968 at 27.8 mg/mL against JCSG+ screen condition D5, 70% MPD, 0.1 M Hepes pH 7.5, crystal tracking ID 220563d5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |