5QBI
Crystal structure of Endothiapepsin-FRG274 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 | 45.239, 72.943, 52.706 |
Unit cell angles | 90.00, 109.14, 90.00 |
Refinement procedure
Resolution | 42.739 - 1.624 |
R-factor | 0.1745 |
Rwork | 0.174 |
R-free | 0.19990 |
Structure solution method | MR |
RMSD bond length | 0.006 |
RMSD bond angle | 1.043 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.738 | 42.738 | 1.720 |
High resolution limit [Å] | 1.620 | 4.840 | 1.620 |
Rmerge | 0.115 | 0.054 | 0.732 |
Rmeas | 0.134 | 0.064 | 0.852 |
Total number of observations | 149854 | ||
Number of reflections | 39747 | 1575 | 6107 |
<I/σ(I)> | 8.5 | 23.1 | 1.84 |
Completeness [%] | 97.2 | 98.7 | 92.8 |
CC(1/2) | 0.995 | 0.994 | 0.748 |
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 |