5XNJ
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate/glutamate racemase in complex with L-glutamate
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 | 2017-04-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97776 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 129.247, 129.247, 44.292 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.820 |
R-factor | 0.1879 |
Rwork | 0.187 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wxx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.267 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 111.930 | 50.000 | 2.870 |
High resolution limit [Å] | 2.820 | 7.650 | 2.820 |
Rmerge | 0.067 | 0.036 | 0.462 |
Rmeas | 0.072 | 0.039 | 0.509 |
Rpim | 0.026 | 0.014 | 0.205 |
Number of reflections | 10438 | ||
<I/σ(I)> | 11.1 | ||
Completeness [%] | 99.5 | 99.6 | 99.8 |
Redundancy | 6.7 | 7.8 | 5.8 |
CC(1/2) | 0.994 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 25% (w/v) polyethylene glycol 3350, 0.2 magnesium chloride |