4PUD
Extracellulr Xylanase from Geobacillus stearothermophilus: E159Q mutant, with xylopentaose in active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-09-10 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.394, 61.664, 89.321 |
Unit cell angles | 90.00, 119.37, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.010 |
R-factor | 0.14815 |
Rwork | 0.146 |
R-free | 0.18342 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r86 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.029 |
Data reduction software | HKL-3000 |
Data scaling software | SCALA |
Phasing software | REFMAC (5.7.0032) |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.098 | |
Number of reflections | 36157 | |
Completeness [%] | 99.0 | 94.54 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 16% PEG 4000, 0.1M MES, 10mM Zinc chloride, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |