6HWJ
Glucosamine kinase (crystal form A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.812, 96.070, 80.252 |
Unit cell angles | 90.00, 106.69, 90.00 |
Refinement procedure
Resolution | 40.736 - 1.979 |
R-factor | 0.1778 |
Rwork | 0.176 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u94 4o7o |
RMSD bond length | 0.006 |
RMSD bond angle | 0.672 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | MrBUMP |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.736 | 2.010 |
High resolution limit [Å] | 1.979 | 1.980 |
Rmerge | 0.057 | 0.908 |
Rmeas | 0.067 | 1.067 |
Rpim | 0.036 | 0.557 |
Number of reflections | 59488 | 2936 |
<I/σ(I)> | 13.2 | 1.3 |
Completeness [%] | 98.1 | 97.3 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.999 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Bis-Tris pH 6.1, 15% (wt/vol) PEG 3350, 0.2 M MgCl2 |