6Q91
Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
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 | 73.323, 114.959, 120.918 |
Unit cell angles | 90.00, 100.79, 90.00 |
Refinement procedure
Resolution | 82.740 - 2.400 |
R-factor | 0.2193 |
Rwork | 0.216 |
R-free | 0.28550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wuu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.772 |
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] | 82.740 | 82.610 | 2.390 |
High resolution limit [Å] | 2.270 | 7.160 | 2.270 |
Rmerge | 0.111 | 0.033 | 1.393 |
Rmeas | 0.131 | 0.040 | 1.648 |
Rpim | 0.070 | 0.021 | 0.873 |
Number of reflections | 91197 | 2948 | 13367 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 99.6 | 99.2 | 99.9 |
Redundancy | 3.4 | 3.4 | 3.5 |
CC(1/2) | 0.996 | 0.998 | 0.616 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MOPS/sodium HEPES, 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 actetate, sodium citrate tribasic dihydrate, sodium oxamate, potassium sodium tartrate tetrahydrate |