5AXH
Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus, D312G mutant in complex with isomaltohexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2014-06-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.334, 99.179, 169.254 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.920 - 2.200 |
R-factor | 0.16245 |
Rwork | 0.160 |
R-free | 0.20516 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5axg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.367 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.920 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.127 | 0.798 |
Number of reflections | 67398 | |
<I/σ(I)> | 22.2 | 3.6 |
Completeness [%] | 99.5 | 98.1 |
Redundancy | 13.7 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 0.12 M sodium dihydrogenphosphate dihydrate, 1.68 M potassium phosphate dibasic |