4C8X
Crystal structure of carbohydrate-binding module CBM3b mutant (Y56S) from the cellulosomal cellobiohydrolase 9A from Clostridium thermocellum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-22 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 41 |
Unit cell lengths | 95.186, 95.186, 83.637 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.593 - 1.998 |
R-factor | 0.1631 |
Rwork | 0.161 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ylk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.063 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.110 | |
Number of reflections | 50720 | |
<I/σ(I)> | 13 | 1.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.93 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.2M DIAMMONIUM HYDROGEN CITRATE, 20% PEG3350, pH 7.5 |