3AMP
E134C-Cellotetraose complex of cellulase 12A from thermotoga maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0011 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.076, 73.906, 179.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.780 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.20200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3amn |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.056 | 0.370 |
| Number of reflections | 54430 | |
| <I/σ(I)> | 29.2 | 4.2 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 5.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M ammonium sulfate, 0.1M Bis-Tris, 5% glycerol, 18% PEG3350, 10mM cellotetraose, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
