4BC4
Crystal structure of human D-xylulokinase in complex with D-xylulose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 |
| Unit cell lengths | 102.800, 102.800, 159.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.370 - 1.790 |
| R-factor | 0.1679 |
| Rwork | 0.167 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN D-XYLULOSE 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] | 59.370 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.220 | |
| Number of reflections | 177198 | |
| <I/σ(I)> | 9.7 | 0.5 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 11.3 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM MES/KOH, PH 5.9, 15% PEG 6000 |
