3QXB
Crystal structure of a Putative Xylose isomerase (YP_426450.1) from RHODOSPIRILLUM RUBRUM ATCC 11170 at 1.90 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-30 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.188, 94.903, 173.197 |
| Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
| Resolution | 29.683 - 1.900 |
| R-factor | 0.1519 |
| Rwork | 0.150 |
| R-free | 0.19160 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.468 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.683 | 29.683 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.102 | 0.063 | 0.432 |
| Total number of observations | 2976 | 20124 | |
| Number of reflections | 96564 | ||
| <I/σ(I)> | 8 | 8.9 | 2.2 |
| Completeness [%] | 99.8 | 95.8 | 100 |
| Redundancy | 2.9 | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | 0.2M NH4Acetate, 20.0% PEG-3350, No Buffer pH 7.1, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
