3O5S
Crystal Structure of the endo-beta-1,3-1,4 glucanase from Bacillus subtilis (strain 168)
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 | 2010-07-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.458 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.758, 103.758, 102.097 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 2.200 |
R-factor | 0.25156 |
Rwork | 0.249 |
R-free | 0.29196 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 1.895 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.063 | 0.372 |
Number of reflections | 27587 | |
<I/σ(I)> | 2.4 | |
Completeness [%] | 96.6 | 90.9 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | lithium sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |