6ZZ2
Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
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 | 2016-01-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.401, 73.178, 52.659 |
| Unit cell angles | 90.00, 109.76, 90.00 |
Refinement procedure
| Resolution | 41.033 - 1.149 |
| R-factor | 0.127491596249 |
| Rwork | 0.127 |
| R-free | 0.14455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dq4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.034 | 1.220 |
| High resolution limit [Å] | 1.148 | 1.150 |
| Number of reflections | 114661 | 18351 |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |
