1R87
Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic form): The complex of the WT enzyme with xylopentaose at 1.67A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-02-12 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97969 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.422, 61.221, 89.583 |
Unit cell angles | 90.00, 119.50, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.670 |
R-factor | 0.169 |
Rwork | 0.169 |
R-free | 0.18600 |
Structure solution method | AB INITIO PHASING |
Starting model (for MR) | PDB code 1R85 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.710 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.067 | 0.318 |
Number of reflections | 62132 | |
<I/σ(I)> | 12.3 | |
Completeness [%] | 97.2 | 90.4 |
Redundancy | 4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 13% PEG 4000, MES pH 6.5, 10mM ZnSO4. Crystals were soaked with 40mM xylopentaose for several seconds before data collection, VAPOR DIFFUSION, HANGING DROP, temperature 293K |