5X7G
Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase
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 | 2016-03-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.680, 113.680, 121.635 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 98.450 - 2.200 |
R-factor | 0.17666 |
Rwork | 0.174 |
R-free | 0.22164 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wnk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.434 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.096 | 0.848 |
Rpim | 0.021 | 0.184 |
Number of reflections | 46942 | 4611 |
<I/σ(I)> | 32.1 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 22.1 | 22.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 25% PEG3350, 12% Tacsimate |