4BC2
Crystal structure of human D-xylulokinase in complex with D-xylulose and adenosine diphosphate
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 | 2009-10-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 32 |
| Unit cell lengths | 102.160, 102.160, 159.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.820 - 1.970 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19720 |
| 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 | 1.050 |
| 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] | 36.800 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.140 | |
| Number of reflections | 131532 | |
| <I/σ(I)> | 9.8 | 0.5 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 5.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 200 MM MES/KOH PH 5.9, 15% (W/V) PEG 6000 |
