2A1H
X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 223 |
Detector technology | CCD |
Collection date | 2002-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.071 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.823, 109.369, 59.252 |
Unit cell angles | 90.00, 96.73, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.055 | 0.347 |
Number of reflections | 68210 | |
Completeness [%] | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |