5OJE
Endothiapepsin with Ligand VSK-B24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-03-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.404, 73.009, 53.069 |
| Unit cell angles | 90.00, 110.06, 90.00 |
Refinement procedure
| Resolution | 28.009 - 1.579 |
| R-factor | 0.1446 |
| Rwork | 0.143 |
| R-free | 0.17440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.943 |
| Data reduction software | XDSapp 2.0 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.670 |
| High resolution limit [Å] | 1.579 | 1.580 |
| Number of reflections | 44501 | 7161 |
| <I/σ(I)> | 21.9 | 7.2 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 4 | 3.7 |
| CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 50 % PEG 4000, 100 mM Ammonium acetate, 100 mM Sodium acetate |
