4XUO
Structure of the CBM22-1 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8729 |
Spacegroup name | H 3 |
Unit cell lengths | 85.350, 85.350, 108.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.540 - 1.700 |
R-factor | 0.21269 |
Rwork | 0.211 |
R-free | 0.24713 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dyo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.405 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.540 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.135 | 0.416 |
Total number of observations | 184811 | |
Number of reflections | 32396 | |
<I/σ(I)> | 2.4 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.7 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium nitrate, 20% PEG 3350, ratio protein/precipitant: 1.5/1 |