7QM8
Endothiapepsin in complex with compound TL00150 in 40% DMSO at 298 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2021-09-08 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.960, 74.323, 53.754 |
| Unit cell angles | 90.00, 110.09, 90.00 |
Refinement procedure
| Resolution | 37.330 - 1.790 |
| R-factor | 0.1438 |
| Rwork | 0.142 |
| R-free | 0.17240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rsv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.824 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.330 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmeas | 0.050 | 0.410 |
| Number of reflections | 31552 | 3116 |
| <I/σ(I)> | 23.18 | 4.28 |
| Completeness [%] | 98.4 | 97.16 |
| Redundancy | 1.05 | 6.67 |
| CC(1/2) | 0.990 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1 M ammonium acetate, 0.1 M sodium acetate pH 4.6, and 26 - 30% (v/v) PEG 4000 |
