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 |
