4H8V
Crystal structure of the trehalulose synthase MUTB in complex with trehalulose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93400 |
Spacegroup name | P 1 |
Unit cell lengths | 64.270, 73.920, 82.960 |
Unit cell angles | 66.07, 74.56, 72.55 |
Refinement procedure
Resolution | 35.500 - 1.950 |
R-factor | 0.1998 |
Rwork | 0.197 |
R-free | 0.25420 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1zja |
RMSD bond length | 0.007 |
RMSD bond angle | 1.051 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.500 | 2.200 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.402 | |
Number of reflections | 90958 | |
<I/σ(I)> | 8.3 | 2.16 |
Completeness [%] | 94.5 | 91.9 |
Redundancy | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 12% PEG20000, 0.1M Na cacodylate, 0.01M L-cysteine, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |