3MMD
Crystal structure of the W241A mutant of xylanase from Geobacillus stearothermophilus T-6 (XT6) complexed with hydrolyzed xylopentaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.978 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.241, 61.856, 89.066 |
Unit cell angles | 90.00, 119.20, 90.00 |
Refinement procedure
Resolution | 39.840 - 1.700 |
Rwork | 0.214 |
R-free | 0.23600 |
Structure solution method | using XT6 native phases, rigid body and annealing refinement. |
Starting model (for MR) | 1r85 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.849 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 62736 | |
<I/σ(I)> | 22.4 | 2.63 |
Completeness [%] | 97.3 | 74.4 |
Redundancy | 6.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 0.1M MES pH 6.7, 14-16% PEG 4K and 10mM zinc chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |