5QB5
Crystal structure of Endothiapepsin-FRG056 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 | 45.241, 73.115, 52.910 |
Unit cell angles | 90.00, 109.53, 90.00 |
Refinement procedure
Resolution | 42.639 - 1.200 |
R-factor | 0.1442 |
Rwork | 0.144 |
R-free | 0.17840 |
Structure solution method | MR |
RMSD bond length | 0.005 |
RMSD bond angle | 1.061 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.638 | 42.638 | 1.270 |
High resolution limit [Å] | 1.200 | 3.590 | 1.200 |
Rmerge | 0.048 | 0.016 | 0.734 |
Rmeas | 0.056 | 0.019 | 0.849 |
Total number of observations | 374550 | ||
Number of reflections | 97077 | 3828 | 15198 |
<I/σ(I)> | 15.17 | 65.27 | 1.77 |
Completeness [%] | 95.8 | 98.4 | 93 |
CC(1/2) | 0.999 | 0.999 | 0.628 |
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 |