5M49
Alpha-amino epsilon-caprolactam racemase in complex with PLP and D/L alpha amino epsilon-caprolactam (internal aldimine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2015-04-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.696, 77.679, 57.602 |
| Unit cell angles | 90.00, 112.68, 90.00 |
Refinement procedure
| Resolution | 56.040 - 1.510 |
| R-factor | 0.1629 |
| Rwork | 0.161 |
| R-free | 0.19508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zuk |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.538 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.030 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.025 | 0.057 |
| Number of reflections | 55609 | |
| <I/σ(I)> | 33.9 | |
| Completeness [%] | 99.6 | |
| 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). |
