8PXI
Crystal structure of Endothiapepsin soaked with FRG283
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-24 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.68879 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.077, 73.066, 51.700 |
Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
Resolution | 40.730 - 1.200 |
R-factor | 0.1717 |
Rwork | 0.171 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.763 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.270 |
High resolution limit [Å] | 1.199 | 1.200 |
Rmeas | 0.053 | |
Number of reflections | 98083 | 15864 |
<I/σ(I)> | 11.96 | 1.05 |
Completeness [%] | 98.6 | 99.1 |
Redundancy | 3.52 | |
CC(1/2) | 0.999 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 292 | Protein at 5 mg/mL in 100 mM ammoniumacetate pH 4.6, reservoir: 100 mM ammoniumacetate, 100 mM sodium acetate pH 4.6, 24 % PEG4000, 292 K, 2+2 yL drops over 1 mL reservoir, streak seeding |