5NH9
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Mn2+ ions and xylose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-23 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5148 |
Spacegroup name | P 1 |
Unit cell lengths | 78.690, 79.400, 92.080 |
Unit cell angles | 115.37, 90.04, 117.07 |
Refinement procedure
Resolution | 46.700 - 2.080 |
R-factor | 0.16959 |
Rwork | 0.168 |
R-free | 0.20266 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1200004044 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.368 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 2.100 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.110 | 0.435 |
Rpim | 0.095 | 0.361 |
Number of reflections | 98185 | 3119 |
<I/σ(I)> | 9.3 | 2.7 |
Completeness [%] | 92.4 | 59.7 |
Redundancy | 3.9 | 2.9 |
CC(1/2) | 0.981 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 10 mM MnCl2, 0.1 M Hepes pH 7.0 |