3T7P
Endothiapepsin in complex with a hydrazide derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.390, 73.110, 52.890 |
| Unit cell angles | 90.00, 109.59, 90.00 |
Refinement procedure
| Resolution | 39.687 - 1.350 |
| R-factor | 0.1535 |
| Rwork | 0.153 |
| R-free | 0.16930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oew |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.096 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 70171 | |
| <I/σ(I)> | 27.3 | 5.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.6 | 2.3 |
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 289K |
