3VOV
Crystal Structure of ROK Hexokinase from Thermus thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.926, 138.144, 75.156 |
| Unit cell angles | 90.00, 95.41, 90.00 |
Refinement procedure
| Resolution | 33.600 - 2.020 |
| R-factor | 0.18308 |
| Rwork | 0.181 |
| R-free | 0.22537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.661 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.071 | 0.363 |
| Number of reflections | 93458 | |
| <I/σ(I)> | 11.6 | 3.22 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 4.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris-HCl (pH 8.5), 8% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
