1W1A
Structure of Bacillus subtilis PdaA in complex with NAG, a family 4 Carbohydrate esterase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 |
| Unit cell lengths | 87.862, 87.862, 120.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.910 - 2.250 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.25800 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| 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] | 20.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.110 | 0.560 |
| Number of reflections | 24612 | |
| <I/σ(I)> | 10.5 | 1.8 |
| Completeness [%] | 98.6 | 98.2 |
| Redundancy | 3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20%(W/V)PEG 12000,0.1M HEPES PH 7.5, 9.09MM CDCL2 |
