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 |
