4BC5
Crystal structure of human D-xylulokinase in complex with inhibitor 5- deoxy-5-fluoro-D-xylulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 32 |
| Unit cell lengths | 102.109, 102.109, 159.101 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.980 - 1.980 |
| R-factor | 0.1727 |
| Rwork | 0.172 |
| R-free | 0.19240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN D-XYLULOKINASE DETERMINED BY TWO- ENERGY SELENIUM MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.960 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.130 | 1.450 |
| Number of reflections | 129196 | |
| <I/σ(I)> | 6.9 | 0.7 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 5.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM MES/KOH PH 5.9, 13% PEG 6000 |
