6ZQ6
Crystal structure of Chaetomium thermophilum Glycerol Kinase in complex with glycerol in P21212 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 170.729, 222.025, 61.331 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.600 - 2.300 |
R-factor | 0.2145 |
Rwork | 0.214 |
R-free | 0.24930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d4w |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.600 | 48.600 | 2.440 |
High resolution limit [Å] | 2.300 | 6.840 | 2.300 |
Rmerge | 0.177 | 0.032 | 1.591 |
Rmeas | 0.207 | 0.038 | 1.850 |
Total number of observations | 383976 | ||
Number of reflections | 103148 | 4159 | 16406 |
<I/σ(I)> | 6.8 | 28.61 | 0.77 |
Completeness [%] | 98.5 | 96.6 | 98.1 |
Redundancy | 3.723 | 3.42 | 3.812 |
CC(1/2) | 0.993 | 0.999 | 0.331 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.125-0.3 M CaCl2; 16-19% PEG 3350 |