6Q90
Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
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 | 73.550, 114.510, 120.810 |
| Unit cell angles | 90.00, 100.33, 90.00 |
Refinement procedure
| Resolution | 67.410 - 2.400 |
| R-factor | 0.223 |
| Rwork | 0.220 |
| R-free | 0.27660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wuu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.649 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.410 | 67.410 | 2.130 |
| High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
| Rmerge | 0.069 | 0.021 | 1.061 |
| Rmeas | 0.082 | 0.025 | 1.273 |
| Rpim | 0.044 | 0.013 | 0.696 |
| Total number of observations | 398892 | ||
| Number of reflections | 117782 | 1334 | 8683 |
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 99.8 | 97 | 99.7 |
| Redundancy | 3.4 | 3.5 | 3.2 |
| CC(1/2) | 0.999 | 0.999 | 0.627 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MOPS/sodium HEPES, pH 7-7.5; 40-50% morpheus precipitant mix 4 (50% mix = 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350), 0.1M morpheus carboxylic acids mix (0.02M each of: sodium formate, ammonium acetate, sodium citrate tribasic dihydrate, sodium oxamate, potassium sodium tartrate tetrahydrate |
