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 |
