6Q3X
Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 107.730, 151.680, 230.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.840 - 2.100 |
R-factor | 0.1928 |
Rwork | 0.191 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gr2 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.840 | 57.870 | 1.860 |
High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
Rmeas | 0.087 | 0.047 | 0.826 |
Rpim | 0.034 | 0.019 | 0.451 |
Total number of observations | 421459 | ||
Number of reflections | 73959 | 4310 | 1903 |
<I/σ(I)> | 11.5 | 31.7 | 0.9 |
Completeness [%] | 89.4 | 99.4 | 46.1 |
Redundancy | 5.7 | 6.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 0.02M Sodium formate; 0.02M Ammonium acetate; 0.02M Sodium citrate tribasic dihydrate; 0.02M Sodium potassium tartrate tetrahydrate; 0.02M Sodium oxamate 0.1 M pH 7.5, Sodium HEPES; MOPS (acid) pH 7.5 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350 |