7P9Y
N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with alpha-N-acetylglucosamine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 115.476, 115.476, 119.657 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.136 - 1.940 |
| Rwork | 0.209 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4db3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.654 |
| 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] | 57.740 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 68568 | 4548 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.999 | 0.282 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 90 mM halogens; 0.1 M Na-HEPES/MOPS pH 7.5; 12.5% each MPD, PEG 1K, PEG 3350 Condition B8 of Morpheus screen (Molecular Dimensions) |
