6ZQ8
Crystal structure of Chaetomium thermophilum Glycerol Kinase in P3221 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 92.145, 92.145, 232.954 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.040 - 2.380 |
R-factor | 0.2456 |
Rwork | 0.244 |
R-free | 0.28450 |
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) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.040 | 47.040 | 2.530 |
High resolution limit [Å] | 2.380 | 7.070 | 2.380 |
Rmerge | 0.124 | 0.037 | 1.964 |
Rmeas | 0.127 | 0.039 | 2.017 |
Total number of observations | 888970 | ||
Number of reflections | 46200 | 1963 | 6995 |
<I/σ(I)> | 17.95 | 67.05 | 1.49 |
Completeness [%] | 98.8 | 99.6 | 94.3 |
Redundancy | 19.242 | 17.638 | 19.412 |
CC(1/2) | 0.999 | 0.999 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.125-0.3 M CaCl2; 16-19% PEG 3350 |