1W1B
Structure of Bacillus subtilis PdaA with Cadmium, a family 4 Carbohydrate esterase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICRO |
| Temperature [K] | 100 |
| Collection date | 2003-11-10 |
| Detector | RIGAKU R-AXIS IV |
| Spacegroup name | P 65 |
| Unit cell lengths | 87.824, 87.824, 120.562 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.850 - 2.100 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.22700 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| 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] | 25.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.650 |
| Number of reflections | 30220 | |
| <I/σ(I)> | 8.5 | 2.6 |
| Completeness [%] | 98.5 | 97.8 |
| Redundancy | 6.2 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.50 |
