5M4B
Alpha-amino epsilon-caprolactam racemase D210A mutant in complex with PLP and geminal diamine intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2015-11-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.210, 79.111, 58.971 |
| Unit cell angles | 90.00, 112.82, 90.00 |
Refinement procedure
| Resolution | 45.790 - 1.500 |
| R-factor | 0.141 |
| Rwork | 0.140 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zuk |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.360 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.790 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.028 | 0.220 |
| Number of reflections | 57829 | |
| <I/σ(I)> | 26.1 | |
| Completeness [%] | 99.2 | |
| Redundancy | 4.1 |
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). |
