5NHE
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Cd2+ 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 | 2014-10-27 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 78.640, 79.370, 92.010 |
Unit cell angles | 115.37, 89.97, 117.16 |
Refinement procedure
Resolution | 45.100 - 1.860 |
R-factor | 0.14163 |
Rwork | 0.140 |
R-free | 0.16474 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1200004044 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.422 |
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] | 45.100 | 1.890 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.063 | 0.386 |
Rpim | 0.059 | 0.361 |
Number of reflections | 128136 | 4052 |
<I/σ(I)> | 9.4 | 2 |
Completeness [%] | 87.8 | 55.9 |
Redundancy | 2 | 1.8 |
CC(1/2) | 0.995 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 13-15 % PEG3350, 0.1 mM CdCl2, 0.1 M Hepes pH 7.0 |