7P7W
N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with alpha-N-acetylglucosamine and ADP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-05 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 115.100, 115.100, 120.304 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 99.680 - 1.570 |
| Rwork | 0.186 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4db3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.447 |
| 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] | 99.680 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 128365 | 6335 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.9 | |
| CC(1/2) | 0.999 | 0.291 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 291 | 120 mM alcohols; ; 0.1 M imidazole/MES pH 6.5; 30% each glycerol and PEG 4K Condition A3 of Morpheus screen (Molecular dimensions). Crystal was soaked for 60 seconds in cryoprotectant containing 10 mM ADP |
