7S4C
Crystal Structure of Inhibitor-bound Galactokinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-25 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 129.216, 129.216, 240.789 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.610 - 2.200 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wuu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.759 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.4) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.610 | 38.610 | 2.250 |
| High resolution limit [Å] | 2.200 | 9.820 | 2.200 |
| Rmerge | 0.107 | 0.024 | 0.893 |
| Rmeas | 0.109 | 0.024 | 0.928 |
| Rpim | 0.024 | 0.006 | 0.247 |
| Total number of observations | 1283748 | 14896 | 58124 |
| Number of reflections | 61072 | 825 | 4292 |
| <I/σ(I)> | 21.3 | 55.8 | 2.9 |
| Completeness [%] | 99.8 | 98.5 | 97.2 |
| Redundancy | 21 | 18.1 | 13.5 |
| CC(1/2) | 0.999 | 1.000 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 286 | Seeding into drops containing GALK protein at 8 mg/ml, 2.3M Na/K pH6.8 |
