4DUO
Room-temperature X-ray structure of D-Xylose Isomerase in complex with 2Mg2+ ions and xylitol at pH 7.7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2009-02-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 93.790, 99.620, 102.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.144 |
Rwork | 0.141 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.023 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 29332 | |
Completeness [%] | 94.0 | 95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 7.7 | 290 | apo-XI crystals were grown with AmSO4 by batch; to obtain the complex Mg2+ was injected into drops containing crystals up to concentration 5 mM; subsequently, xylitol was injected up to concentration of 100 mM, pH 7.7, temperature 290K |