5M46
Alpha-amino epsilon-caprolactam racemase (ACLR) from Rhizobacterium freirei
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 | 2015-01-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.613, 76.527, 58.570 |
Unit cell angles | 90.00, 113.12, 90.00 |
Refinement procedure
Resolution | 45.240 - 1.620 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zuk |
RMSD bond length | 0.022 |
RMSD bond angle | 2.131 |
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] | 45.240 | 1.650 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.064 | 0.628 |
Number of reflections | 44637 | |
<I/σ(I)> | 11.7 | |
Completeness [%] | 98.8 | |
Redundancy | 3.9 |
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). |