7P9P
N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with alpha-N-acetylglucosamine and AMP-PNP inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 115.202, 115.202, 120.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.107 - 2.110 |
| Rwork | 0.191 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4db3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.565 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.600 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Number of reflections | 53533 | 4354 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10 | |
| CC(1/2) | 0.998 | 0.336 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 60 mM divalent cations; 0.1 M imidazole/MES pH 6.5; 30% each glycerol and PEG 4K. Condition A3 from Morpheus screen (Molecular Dimensions) |
