5ZCI
Crystal structure of apo form of Xylose reductase from Debaryomyces nepalensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-02-03 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.760, 69.440, 159.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.857 - 2.000 |
R-factor | 0.1896 |
Rwork | 0.188 |
R-free | 0.21840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jez |
RMSD bond length | 0.002 |
RMSD bond angle | 0.484 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.400 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.157 | 0.745 |
Rmeas | 0.165 | 0.781 |
Rpim | 0.049 | 0.232 |
Number of reflections | 42060 | 5483 |
<I/σ(I)> | 12.6 | 3.1 |
Completeness [%] | 89.2 | 81.1 |
Redundancy | 10.5 | 10.7 |
CC(1/2) | 0.997 | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 24% PEG 3000, 0.1 M sodium citrate (pH 6.2), 0.15 M ammonium acetate |