3AMM
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 | 42.259, 73.876, 181.159 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.980 |
R-factor | 0.15 |
Rwork | 0.146 |
R-free | 0.18900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3amh |
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 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.074 | 0.288 |
Number of reflections | 37964 | |
<I/σ(I)> | 25 | 8.1 |
Completeness [%] | 93.3 | 82.9 |
Redundancy | 5.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris, 10% glycerol, 15% PEG3350, 10mM cellotetraose, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |