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). |