7PA1
Structure of N-acetylglucosamine kinase from Plesiomonas shigelloides in complex with AMP-PNP in the absence of N-acetylglucoseamine substrate
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 | 2019-07-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 65 |
Unit cell lengths | 121.265, 121.265, 91.684 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.693 - 2.200 |
Rwork | 0.208 |
R-free | 0.25170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4db3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.563 |
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] | 60.630 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 38637 | 3361 |
<I/σ(I)> | 5.2 | |
Completeness [%] | 99.2 | |
Redundancy | 3.3 | |
CC(1/2) | 0.964 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 291 | 0.09M NPS; 0.1 M Tris/bicine pH 8.5; 30% each PEG 550 MME and PEG 20K, condition C9 from Morpheus crystallisation screen (Molecular Dimensions). |