7BKR
Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2020-10-24 |
Detector | PSI JUNGFRAU 4M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.893, 74.003, 45.817 |
Unit cell angles | 90.00, 108.97, 90.00 |
Refinement procedure
Resolution | 43.330 - 2.100 |
R-factor | 0.1494 |
Rwork | 0.147 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rsv |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.330 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.243 | 0.846 |
Number of reflections | 19537 | 1969 |
<I/σ(I)> | 6.65 | 1.56 |
Completeness [%] | 99.6 | |
Redundancy | 5.6 | |
CC(1/2) | 0.970 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 100 mM ammonium acetate, 100 mM sodium acetate pH 4.6 and 26 to 30% PEG 4000 |