6RS9
X-ray crystal structure of LsAA9B (xylotetraose soak)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9760 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.410, 72.790, 78.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.330 - 1.400 |
R-factor | 0.13519 |
Rwork | 0.133 |
R-free | 0.17513 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eja |
RMSD bond length | 0.013 |
RMSD bond angle | 1.811 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmeas | 0.100 | 1.560 |
Number of reflections | 40817 | 2961 |
<I/σ(I)> | 13.57 | 1.36 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.17 | 7.27 |
CC(1/2) | 0.999 | 0.454 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1M HEPES/MOPS pH 7.5 24 %(w/v) PEGMME 500 12 %(w/v) PEG 20000 0.03 M CaCl2 0.03 M MgCl2 Crystal soaked with a 0.8 M Xylotetraose solution for 1 hour and 20 min. |