5M4D
Alpha-amino epsilon-caprolactam racemase K241A mutant in complex with D-ACL (external aldimine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.100, 77.490, 58.520 |
| Unit cell angles | 90.00, 113.66, 90.00 |
Refinement procedure
| Resolution | 55.270 - 1.930 |
| R-factor | 0.19597 |
| Rwork | 0.193 |
| R-free | 0.25066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zuk |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.014 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.270 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.220 | 0.880 |
| Number of reflections | 29415 | |
| <I/σ(I)> | 1.3 | |
| Completeness [%] | 99.3 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 0.2 M MgCl2, 25 % PEG 3350, 0.1 mM HEPES (pH 7.0). |
