2XQO
CtCel124: a cellulase from Clostridium thermocellum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 74.010, 74.010, 74.930 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.050 - 1.400 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.272 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.100 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.090 | 0.900 |
| Number of reflections | 41381 | 39995 |
| <I/σ(I)> | 13 | 2.4 |
| Completeness [%] | 98.1 | 96.8 |
| Redundancy | 10.3 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1 MICROL OF PROTEIN (60 MG/ML IN SOLUTION WITH CELLOHEXAOSE) MIXED WITH 1 MICROL OF RESERVOIR SOLUTION (8% (V/V) TACSIMATE PH 5 AND 20% (W/V) PEG 3350) |
