4ALS
X-Ray photoreduction of Polysaccharide monooxygenase CBM33
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-03 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.435, 48.609, 68.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 1.470 |
R-factor | 0.15825 |
Rwork | 0.156 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bem |
RMSD bond length | 0.008 |
RMSD bond angle | 1.221 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.610 | 1.550 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.060 | 0.140 |
Number of reflections | 24138 | |
<I/σ(I)> | 12.2 | 5.5 |
Completeness [%] | 96.6 | 87.9 |
Redundancy | 2.9 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 20%(W/V) PEG-8000 AND 0.1 M HEPES PH 7.5 SITTING DROP VAPOR DIFFUSION |