4CTE
Crystal structure of the catalytic domain of the modular laminarinase ZgLamC mutant E142S in complex with a thio-oligosaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-04 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.010, 93.930, 142.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.110 - 1.800 |
R-factor | 0.17946 |
Rwork | 0.177 |
R-free | 0.22221 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4crq |
RMSD bond length | 0.020 |
RMSD bond angle | 1.986 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.200 | 1.850 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.070 | 0.690 |
Number of reflections | 72254 | |
<I/σ(I)> | 16.8 | 2.2 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 4.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 11% PEG 6000, 100 MM NA ACETATE PH 5.0, 220 MM MGCL2, 4% ISOPROPANOL AND 3% GLYCEROL |