1W17
Structure of Bacillus subtilis PdaA, a family 4 Carbohydrate esterase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-24 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 |
| Unit cell lengths | 88.115, 88.115, 120.957 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.980 - 1.900 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.26200 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.450 |
| Number of reflections | 41729 | |
| <I/σ(I)> | 10.9 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20%(W/V) PEG 12000, 0.1M HEPES PH7.5, pH 7.50 |
