6MS2
Crystal structure of the GH43 BlXynB protein from Bacillus licheniformis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-04 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.459 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.858, 41.902, 71.805 |
Unit cell angles | 90.00, 91.70, 90.00 |
Refinement procedure
Resolution | 33.313 - 2.494 |
R-factor | 0.2013 |
Rwork | 0.197 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yrz |
RMSD bond length | 0.003 |
RMSD bond angle | 0.756 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2148) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.410 | 40.410 | 2.640 |
High resolution limit [Å] | 2.490 | 7.370 | 2.490 |
Rmerge | 0.089 | 0.038 | 0.554 |
Rmeas | 0.109 | 0.046 | 0.715 |
Number of reflections | 15465 | 657 | 2209 |
<I/σ(I)> | 9.58 | 23.79 | 1.81 |
Completeness [%] | 94.1 | 96.1 | 85.3 |
Redundancy | 2.8 | ||
CC(1/2) | 0.992 | 0.996 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 36% (v/v) 2-methyl-2,4-pentanediol, 5% (w/v) polyethelyne glycol 8,000 and 0.1 M sodium cacodylate pH 6.0 |