3U0H
The Structure of a Xylose Isomerase domain protein from Alicyclobacillus acidocaldarius subsp. acidocaldarius.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921, 0.97937 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.555, 240.329, 113.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.050 - 2.300 |
| R-factor | 0.1798 |
| Rwork | 0.177 |
| R-free | 0.22520 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.759 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.087 | 0.055 | 0.581 |
| Number of reflections | 32970 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 99.9 | 98.2 | 100 |
| Redundancy | 5 | 4.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 0.1M Tris:HCl, 1.0M Amonium phosphate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
