4ALE
Structure changes of Polysaccharide monooxygenase CBM33A from Enterococcus faecalis by X-ray induced photoreduction.
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 CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.422, 48.570, 68.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.610 - 1.480 |
| R-factor | 0.16219 |
| Rwork | 0.161 |
| R-free | 0.18416 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bem |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.229 |
| 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] | 48.570 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 24395 | |
| <I/σ(I)> | 9 | 2.6 |
| Completeness [%] | 97.8 | 90.5 |
| Redundancy | 3.4 | 2.9 |
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 |
