5QBJ
Crystal structure of Endothiapepsin-FRG283 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 | 45.065, 72.905, 52.263 |
Unit cell angles | 90.00, 108.78, 90.00 |
Refinement procedure
Resolution | 42.665 - 1.699 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.20310 |
Structure solution method | Rigid Body |
RMSD bond length | 0.006 |
RMSD bond angle | 0.995 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.666 | 42.666 | 1.800 |
High resolution limit [Å] | 1.700 | 5.070 | 1.700 |
Rmerge | 0.097 | 0.029 | 0.784 |
Rmeas | 0.113 | 0.035 | 0.911 |
Total number of observations | 132019 | ||
Number of reflections | 34645 | 1357 | 5518 |
<I/σ(I)> | 10.46 | 32.38 | 1.82 |
Completeness [%] | 97.9 | 98.3 | 96.2 |
CC(1/2) | 0.997 | 0.999 | 0.636 |
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 |