6HWL
Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.764, 97.435, 80.188 |
Unit cell angles | 90.00, 107.42, 90.00 |
Refinement procedure
Resolution | 39.888 - 2.148 |
R-factor | 0.2089 |
Rwork | 0.207 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1200012387 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.498 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.175 | 2.190 |
High resolution limit [Å] | 2.148 | 2.150 |
Rmerge | 0.113 | 1.543 |
Rmeas | 0.122 | 1.660 |
Rpim | 0.045 | 0.608 |
Number of reflections | 46229 | 2340 |
<I/σ(I)> | 11.8 | 1.3 |
Completeness [%] | 98.3 | 99.2 |
Redundancy | 7 | 7.3 |
CC(1/2) | 0.998 | 0.559 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Bis-Tris pH 6.1, 16% (wt/vol) PEG 3350, 0.15 M MgCl2 |