3PZT
Structure of the endo-1,4-beta-glucanase from Bacillus subtilis 168 with manganese(II) ion
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 | 2010-09-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4586 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.526, 110.617, 122.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.400 - 1.970 |
R-factor | 0.16609 |
Rwork | 0.164 |
R-free | 0.20579 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 1.938 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 2.040 |
High resolution limit [Å] | 1.970 | 1.970 |
Number of reflections | 47366 | |
Completeness [%] | 97.6 | 87.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 25% PEG1500, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |