5QBR
Crystal structure of Endothiapepsin
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 | 45.339, 73.576, 53.487 |
Unit cell angles | 90.00, 110.21, 90.00 |
Refinement procedure
Resolution | 41.465 - 1.418 |
R-factor | 0.1586 |
Rwork | 0.157 |
R-free | 0.19830 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.019 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.465 | 41.465 | 1.500 |
High resolution limit [Å] | 1.420 | 4.230 | 1.420 |
Rmerge | 0.083 | 0.025 | 0.608 |
Rmeas | 0.097 | 0.029 | 0.716 |
Total number of observations | 230730 | ||
Number of reflections | 62097 | 2401 | 9883 |
<I/σ(I)> | 9.93 | 42.57 | 1.8 |
Completeness [%] | 99.5 | 98.9 | 98.5 |
CC(1/2) | 0.998 | 0.999 | 0.423 |
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 |