5O5X
Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.190, 99.270, 113.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.729 - 2.148 |
R-factor | 0.1951 |
Rwork | 0.194 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b8r |
RMSD bond length | 0.003 |
RMSD bond angle | 0.542 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.730 | 2.225 |
High resolution limit [Å] | 2.148 | 2.148 |
Rmerge | 0.053 | 0.912 |
Rmeas | 0.060 | |
Rpim | 0.028 | 0.479 |
Number of reflections | 58644 | 5574 |
<I/σ(I)> | 14.24 | |
Completeness [%] | 98.9 | 95.59 |
Redundancy | 4.4 | 4.4 |
CC(1/2) | 0.999 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M lithium sulfate, 20% (w/v) PEG 3350 |