3VHP
The insertion mutant Y61GG of Tm Cel12A
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 | 2010-07-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9732 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.279, 74.467, 164.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.930 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vho |
RMSD bond length | 0.016 |
RMSD bond angle | 1.800 |
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 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.049 | 0.116 |
Number of reflections | 42524 | |
<I/σ(I)> | 42 | 21.4 |
Completeness [%] | 99.1 | 100 |
Redundancy | 7.2 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris, 0.2M ammonium sulfate, 5% glycerol, 21% PEG3350, 10mM cellobiose, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |