3VHN
Y61G mutant of Cellulase 12A from thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97916 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.910, 124.039, 127.556 |
Unit cell angles | 90.00, 107.06, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.500 |
R-factor | 0.189 |
Rwork | 0.185 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 3AMH |
RMSD bond length | 0.016 |
RMSD bond angle | 1.900 |
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 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.108 | 0.293 |
Number of reflections | 91224 | |
<I/σ(I)> | 11 | 2.4 |
Completeness [%] | 97.7 | 85.9 |
Redundancy | 2.9 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M bis-tris, 0.2M ammonium sulfate, 25% PEG3350, 10 mM cellotetraose, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |