5NHD
Crystal structure of xylose isomerase from Piromyces E2 in complex with 2 Ni2+ 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 | 2014-10-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 78.719, 79.040, 92.010 |
Unit cell angles | 115.14, 90.36, 117.01 |
Refinement procedure
Resolution | 39.400 - 1.800 |
R-factor | 0.15455 |
Rwork | 0.153 |
R-free | 0.17478 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1200004044 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.370 |
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] | 39.400 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.088 | 0.491 |
Rpim | 0.067 | 0.361 |
Number of reflections | 146916 | 7031 |
<I/σ(I)> | 8 | 1.9 |
Completeness [%] | 91.4 | 87.3 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.993 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 10 mM NiCl2, 0.1 M Hepes pH 7.0 |