5QBB
Crystal structure of Endothiapepsin-FRG140 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 | 45.325, 73.215, 52.906 |
Unit cell angles | 90.00, 109.49, 90.00 |
Refinement procedure
Resolution | 42.727 - 1.759 |
R-factor | 0.1581 |
Rwork | 0.157 |
R-free | 0.18410 |
Structure solution method | Rigid Body |
RMSD bond length | 0.006 |
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] | 42.727 | 42.727 | 1.870 |
High resolution limit [Å] | 1.760 | 5.240 | 1.760 |
Rmerge | 0.131 | 0.036 | 0.786 |
Rmeas | 0.153 | 0.043 | 0.923 |
Total number of observations | 122181 | ||
Number of reflections | 32326 | 1262 | 5157 |
<I/σ(I)> | 8.78 | 29.41 | 1.59 |
Completeness [%] | 99.6 | 99.1 | 99.2 |
CC(1/2) | 0.994 | 0.998 | 0.588 |
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 |