1L1G
The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol
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 | 2001-10-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.280, 57.700, 74.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.500 |
| Rwork | 0.173 |
| R-free | 0.21500 |
| Structure solution method | MAD |
| Starting model (for MR) | 1qnj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.180 |
| 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 | 1.200 * |
| Rmerge | 0.076 * | 0.457 * |
| Total number of observations | 1017166 * | |
| Number of reflections | 66284 * | |
| Completeness [%] | 99.0 * | 100 * |
| Redundancy | 15.4 | 10.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | Shotton, D.M., (1968) J. Mol. Biol., 32, 155. * |
