5QB8
Crystal structure of Endothiapepsin-FRG080 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.061, 72.612, 52.291 |
Unit cell angles | 90.00, 108.94, 90.00 |
Refinement procedure
Resolution | 40.878 - 1.240 |
R-factor | 0.1351 |
Rwork | 0.135 |
R-free | 0.16080 |
Structure solution method | Rigid Body |
RMSD bond length | 0.005 |
RMSD bond angle | 1.045 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.622 | 42.622 | 1.310 |
High resolution limit [Å] | 1.240 | 3.710 | 1.240 |
Rmerge | 0.053 | 0.022 | 0.684 |
Rmeas | 0.062 | 0.025 | 0.796 |
Total number of observations | 332690 | ||
Number of reflections | 86453 | 3410 | 13519 |
<I/σ(I)> | 13.41 | 53.17 | 1.78 |
Completeness [%] | 95.9 | 98.4 | 92.9 |
CC(1/2) | 0.999 | 0.999 | 0.684 |
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, 24-30% PEG 4000; crystals obtained by streak-seeding |