7P7I
Native structure of N-acetylglucosamine kinase from Plesiomonas shigelloides
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 | 2017-09-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.230, 95.230, 180.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.888 - 1.700 |
| Rwork | 0.183 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4db3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.617 |
| 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] | 75.010 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 104319 | 5073 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 5 | 5.1 |
| CC(1/2) | 0.999 | 0.270 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 60 mM divalent cations; 0.1 M Tris/bicine pH 8.5; 12.5% each MPD, PEG 1K, PEG 3350. condition A12 from Morpheus screen (Molecular Dimensions) |
