3ZZK
Structure of an engineered aspartate aminotransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.130, 154.340, 79.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.030 - 1.780 |
| R-factor | 0.17332 |
| Rwork | 0.172 |
| R-free | 0.19868 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aaw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.174 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.080 | 0.140 |
| Number of reflections | 48343 | |
| <I/σ(I)> | 11.3 | 5.8 |
| Completeness [%] | 97.0 | 92.3 |
| Redundancy | 3.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8.0 |
