6QRX
X-ray radiation dose series on xylose isomerase - 3.88 MGy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.954, 0.855 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.612, 97.636, 102.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.741 - 1.170 |
| R-factor | 0.1096 |
| Rwork | 0.109 |
| R-free | 0.12820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qrr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | PHENIX ((1.14_3247: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.750 | 1.190 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmeas | 0.090 | 0.847 |
| Number of reflections | 154713 | |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | 2-propanol, ethylene glycol, HEPES, magnesium chloride |
