3PCW
Endothiapepsin in complex with a fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-24 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.320, 73.060, 52.520 |
| Unit cell angles | 90.00, 109.51, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.250 |
| Rwork | 0.116 |
| R-free | 0.14990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oew |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.028 |
| 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] | 20.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 86999 | |
| <I/σ(I)> | 27.9 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 0.1 M NH4Ac, 0.1 M Acetat-Buffer, 26 % PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K, temperature 289K |
