3WZ7
Endothiapepsin in complex with Gewald reaction-derived inhibitor (6)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.200, 73.640, 53.150 |
| Unit cell angles | 90.00, 110.19, 90.00 |
Refinement procedure
| Resolution | 42.423 - 1.900 |
| R-factor | 0.2413 |
| Rwork | 0.240 |
| R-free | 0.27960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oew |
| RMSD bond length | 0.007 |
| RMSD bond angle | 2.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.352 |
| Number of reflections | 23054 | |
| <I/σ(I)> | 17.2 | 3.5 |
| Completeness [%] | 89.1 | 75.6 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | ammonium acetate, PEG4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
