5QB6
Crystal structure of Endothiapepsin-FRG062 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 | 45.345, 73.317, 52.820 |
Unit cell angles | 90.00, 109.55, 90.00 |
Refinement procedure
Resolution | 42.730 - 1.538 |
R-factor | 0.133 |
Rwork | 0.132 |
R-free | 0.17100 |
Structure solution method | Rigid Body |
RMSD bond length | 0.005 |
RMSD bond angle | 1.005 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.730 | 42.730 | 1.630 |
High resolution limit [Å] | 1.540 | 4.590 | 1.540 |
Rmerge | 0.064 | 0.026 | 0.653 |
Rmeas | 0.075 | 0.030 | 0.757 |
Total number of observations | 180466 | ||
Number of reflections | 48129 | 1860 | 7669 |
<I/σ(I)> | 13.54 | 44.19 | 1.83 |
Completeness [%] | 99.4 | 99 | 98.2 |
CC(1/2) | 0.999 | 0.999 | 0.692 |
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 |