2V0B
SAD Structure solution porcine pancreatic elastase from a Selenate derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-07 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.407, 57.473, 74.184 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.740 - 1.650 |
| R-factor | 0.175 |
| Rwork | 0.175 |
| R-free | 0.20600 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.220 |
| Number of reflections | 154033 | |
| <I/σ(I)> | 18.5 | 2.1 |
| Completeness [%] | 96.7 | 77.4 |
| Redundancy | 2.9 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.050 M NASEO4, 20 % ETHYLENE GLYCOL, USING THE HANGING DROP METHOD AT 20 C., pH 7.0 |
