1L0Z
THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON AND BROMIDE, CRYOPROTECTED WITH DRY PARAFFIN OIL
Experimental procedure
Experimental method | SAS |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.500, 57.700, 73.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.500 |
R-factor | 0.166 |
Rwork | 0.166 |
R-free | 0.20900 |
Structure solution method | SAS |
Starting model (for MR) | 1qnj |
RMSD bond length | 0.009 |
RMSD bond angle | 2.130 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | |
High resolution limit [Å] | 1.500 | 1.500 * |
Rmerge | 0.044 | 0.180 * |
Total number of observations | 598060 * | |
Number of reflections | 34498 | |
Completeness [%] | 99.0 | 100 * |
Redundancy | 17.3 * | 11.3 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | Shotton, D.M., (1968) J. Mol. Biol., 32, 155. * |