4Y0H
Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2013-01-20 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.496, 226.924, 71.436 |
| Unit cell angles | 90.00, 108.67, 90.00 |
Refinement procedure
| Resolution | 53.960 - 1.630 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.20259 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.051 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 53.960 |
| High resolution limit [Å] | 1.630 |
| Number of reflections | 254809 |
| <I/σ(I)> | 5.1 |
| Completeness [%] | 99.9 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 0.1M ammonium acetate, 0.1M bis-tris (pH 5.5), 17% PEG 10,000 |
