5NHB
Crystal structure of xylose isomerase from Piromyces E2 in complex with two Fe2+ ions
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 | 2014-10-07 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 79.539, 79.510, 92.230 |
Unit cell angles | 115.57, 89.96, 116.69 |
Refinement procedure
Resolution | 45.300 - 2.400 |
R-factor | 0.24648 |
Rwork | 0.245 |
R-free | 0.28185 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | D_1200004044 |
RMSD bond length | 0.012 |
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] | 45.300 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.148 | 0.490 |
Rpim | 0.127 | 0.386 |
Number of reflections | 59313 | 4141 |
<I/σ(I)> | 5.9 | 2.1 |
Completeness [%] | 85.8 | 81.1 |
Redundancy | 3.5 | 3.3 |
CC(1/2) | 0.963 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 13-15 % PEG3350, 0.1 M FeSO4, 0.1 M Hepes pH 7.0 |