3MUA
Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2001-11-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.100 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 169.228, 80.771, 79.056 |
Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
Resolution | 39.560 - 1.500 |
Rwork | 0.192 |
R-free | 0.20200 |
Starting model (for MR) | 2q8x |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.560 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 169396 | |
<I/σ(I)> | 22.38 | 2.98 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium cacodylate pH 6.5, 1.9M sodium acetate, 40mM xylotriose., VAPOR DIFFUSION, HANGING DROP, temperature 293K |