6SCV
Endothiapepsin in complex with ligand 69
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-05-31 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.283, 73.040, 52.878 |
| Unit cell angles | 90.00, 109.38, 90.00 |
Refinement procedure
| Resolution | 39.580 - 1.700 |
| R-factor | 0.1408 |
| Rwork | 0.140 |
| R-free | 0.16440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.803 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 35726 | 5629 |
| <I/σ(I)> | 24.79 | 6.26 |
| Completeness [%] | 99.3 | 97.7 |
| Redundancy | 4.4 | |
| CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M AMMONIUM ACETATE, 0.1M SODIUM ACETATE, 24-30% PEG 4000 CRYSTAL OBTAINED BY STREAK-SEEDING |
