3VOI
CcCel6A catalytic domain complexed with p-nitrophenyl beta-D-cellotrioside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.973, 71.502, 101.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.720 - 2.000 |
R-factor | 0.19672 |
Rwork | 0.194 |
R-free | 0.25222 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3voh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.141 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.091 | 0.320 |
Number of reflections | 22349 | |
<I/σ(I)> | 29.5 | 8.3 |
Completeness [%] | 95.1 | 96.8 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 8000, 0.1M HEPES-KOH, 0.1M magnesium acetate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |