3WNO
D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltooctaose
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] | 95 |
Detector technology | CCD |
Collection date | 2010-05-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.928, 167.715, 174.861 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.470 - 1.900 |
R-factor | 0.17149 |
Rwork | 0.170 |
R-free | 0.19516 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wnk |
RMSD bond length | 0.006 |
RMSD bond angle | 1.176 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.700 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 143236 | |
<I/σ(I)> | 17.9 | 3.4 |
Completeness [%] | 99.6 | 98.6 |
Redundancy | 5.3 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6M ammonium sulfate, 0.1M MES, 10%(v/v) 1,4-dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |