5XNK
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with DL-methyl-aspartate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97775 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 129.046, 129.046, 43.898 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 3.400 |
R-factor | 0.18085 |
Rwork | 0.179 |
R-free | 0.21735 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wxx |
RMSD bond length | 0.007 |
RMSD bond angle | 1.172 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 111.760 |
High resolution limit [Å] | 3.400 |
Number of reflections | 5683 |
<I/σ(I)> | 9.1 |
Completeness [%] | 96.1 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 25% (w/v) polyethylene glycol 3350, 0.2 magnesium chloride |