3RUY
Crystal Structure of the Ornithine-oxo acid transaminase RocD from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-02-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.120, 98.291, 126.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.980 - 2.650 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.23210 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.748 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.740 | |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.057 | 0.578 |
Number of reflections | 25718 | |
<I/σ(I)> | 27.3 | 2.1 |
Completeness [%] | 97.6 | 81.6 |
Redundancy | 5.8 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG3350, 12.5mM suberic acid, 12.5mM sebacic acid, 12.5mM hexadecanedioic acid, 12.5mM dodecanedioic acid, 40% ethanol, 100mM HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |