3U3H
X-Ray Crystallographic Analysis of D-Xylose Isomerase-Catalyzed Isomerization of (R)-Glyceraldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-18 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.651, 98.148, 102.597 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 0.970 |
| R-factor | 0.116 |
| Rwork | 0.116 |
| R-free | 0.12500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.343 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_858)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.972 | 1.040 |
| High resolution limit [Å] | 0.970 | 1.000 |
| Rmerge | 0.055 | 0.291 |
| Number of reflections | 272713 | |
| <I/σ(I)> | 39.5 | 6.1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 8.5 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 20mg/ml XI in water was mixed with an equal volume of well solution consisting of 0.2-0.3M Mg formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
