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 |
