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 |