3PLL
Endothiapepsin in complex with a fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | RAYONIX SX-165mm |
| Wavelength(s) | 0.89440 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.240, 73.110, 52.690 |
| Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.730 |
| Rwork | 0.163 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oew |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Number of reflections | 32328 | |
| <I/σ(I)> | 13.2 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1M NH4Ac, 0.1M Acetate Buffer, 26% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K, temperature 289K |
