4DFS
Structure of the catalytic domain of an endo-1,3-beta-glucanase (laminarinase) from Thermotoga petrophila RKU-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.458 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 130.036, 130.036, 141.466 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.152 - 3.754 |
R-factor | 0.2038 |
Rwork | 0.202 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1azx |
RMSD bond length | 0.003 |
RMSD bond angle | 0.635 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.200 | 3.880 |
High resolution limit [Å] | 3.750 | 3.750 |
Number of reflections | 14073 | |
Completeness [%] | 95.5 | 98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 200 mM Hepes, 1.8 M ammonium sulphate, 100 mM sodium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |