3VOJ
CcCel6A catalytic domain mutant D164A
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 | 2010-11-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.888, 71.795, 100.474 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.210 - 2.290 |
R-factor | 0.18882 |
Rwork | 0.186 |
R-free | 0.24814 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vog |
RMSD bond length | 0.009 |
RMSD bond angle | 1.094 |
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 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.084 | 0.216 |
Number of reflections | 15432 | |
<I/σ(I)> | 37.8 | 12.3 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7 |
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 |