6FHJ
Structural dynamics and catalytic properties of a multi-modular xanthanase, native.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 103.350, 103.350, 212.500 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.500 - 2.040 |
R-factor | 0.18133 |
Rwork | 0.180 |
R-free | 0.21047 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.487 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.500 | 2.090 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.099 | 0.650 |
Number of reflections | 84289 | |
<I/σ(I)> | 15.8 | 3.6 |
Completeness [%] | 99.9 | |
Redundancy | 10.2 | |
CC(1/2) | 0.999 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PACT condition E12, 20 percent PEG3350, sodium malonate |