7QM3
Endothiapepsin in complex with compound TL00150 in 5% 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 | 45.869, 73.906, 53.011 |
| Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
| Resolution | 37.360 - 1.790 |
| R-factor | 0.1953 |
| Rwork | 0.194 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rsv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.951 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.360 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmeas | 0.120 | 1.390 |
| Number of reflections | 31104 | 3061 |
| <I/σ(I)> | 10.3 | 1.09 |
| Completeness [%] | 98.6 | 97.61 |
| Redundancy | 6.93 | 6.57 |
| CC(1/2) | 0.990 | 0.650 |
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 |
