4CMD
The (R)-selective transaminase from Nectria haematococca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 106.062, 133.894, 61.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.140 - 1.680 |
| R-factor | 0.15965 |
| Rwork | 0.158 |
| R-free | 0.18796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wrv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.386 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.900 | 1.730 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.100 | 0.840 |
| Number of reflections | 93564 | |
| <I/σ(I)> | 13.9 | 2.2 |
| Completeness [%] | 98.8 | 94.3 |
| Redundancy | 5.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
