5VJZ
Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-12-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.532, 124.986, 130.444 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.560 - 2.210 |
| Rwork | 0.234 |
| R-free | 0.25700 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Refinement software | nCNS (1.0.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.320 |
| High resolution limit [Å] | 2.000 | 2.200 |
| Rmerge | 0.031 | 0.470 |
| Number of reflections | 62791 | 32950 |
| <I/σ(I)> | 28.3 | |
| Completeness [%] | 95.5 | 72.9 |
| Redundancy | 6.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 277.15 | 40mM sodium acetate 8% PEG 6,000 |
| 1 | BATCH MODE | 7.5 | 277.15 | 40mM sodium acetate 8% PEG 6,000 |
