6ZFH
Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 119.872, 97.204, 144.812 |
| Unit cell angles | 90.00, 98.51, 90.00 |
Refinement procedure
| Resolution | 98.787 - 2.439 |
| R-factor | 0.2122 |
| Rwork | 0.210 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wuu |
| Data reduction software | Aimless |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 98.790 | 98.870 | 2.480 |
| High resolution limit [Å] | 2.439 | 6.620 | 2.440 |
| Rmeas | 0.325 | 0.073 | 3.561 |
| Rpim | 0.126 | 0.029 | 1.375 |
| Total number of observations | 40286 | 39589 | |
| Number of reflections | 121943 | 6335 | 5933 |
| <I/σ(I)> | 6 | 16.2 | 1 |
| Completeness [%] | 99.3 | 100 | 96.9 |
| Redundancy | 6.6 | 6.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus condition: Buffer system 1: 0.1 M pH 6.5, Imidazole; MES monohydrate (acid) Amino acids: 0.02M L-Na-Glutamate; 0.02M Alanine (racemic); 0.02M Glycine; 0.02M Lysine HCl (racemic); 0.02M Serine (racemic) Precipitant Mix 1: 20% v/v PEG 500 MME; 10 % w/v PEG 20000 |
