5X7R
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2013-02-16 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 184.333, 271.260, 133.928 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 152.460 - 1.950 |
R-factor | 0.17981 |
Rwork | 0.178 |
R-free | 0.20779 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x7o |
RMSD bond length | 0.008 |
RMSD bond angle | 1.331 |
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] | 200.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.078 | 0.567 |
Number of reflections | 245688 | 24344 |
<I/σ(I)> | 33.2 | 6 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 14.5 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 1.5 M magnesium sulfate, 0.1 M MES buffer |