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 |