6ZGW
Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.674, 114.560, 120.934 |
| Unit cell angles | 90.00, 100.49, 90.00 |
Refinement procedure
| Resolution | 118.910 - 2.300 |
| R-factor | 0.2113 |
| Rwork | 0.209 |
| R-free | 0.25470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wuu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.876 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 118.910 | 118.880 | 2.200 |
| High resolution limit [Å] | 2.140 | 9.570 | 2.140 |
| Rmerge | 0.102 | 0.035 | 1.066 |
| Rmeas | 0.121 | 0.042 | 1.282 |
| Rpim | 0.065 | 0.022 | 0.705 |
| Total number of observations | 4619 | 25767 | |
| Number of reflections | 108640 | 1265 | 8034 |
| <I/σ(I)> | 6.1 | 20.1 | 1.1 |
| Completeness [%] | 99.9 | 99.6 | 99.8 |
| Redundancy | 3.4 | 3.7 | 3.2 |
| CC(1/2) | 0.994 | 0.992 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MOPS/sodium HEPES pH 7.0-7.5, 40-50 % Morpheus Precipitant Mix 4 (50% mix = 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350), 0.1 M Morpheus Carboxylic acids mix (0.02M each of:sodium formate, ammonium acetate, sodium citrate tribasic dehydrate, sodium potassium tartrate tetrahydrate and sodium oxamate). |
