5QBM
Crystal structure of Endothiapepsin-NAT17-347151 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 | 45.439, 73.848, 53.425 |
Unit cell angles | 90.00, 110.25, 90.00 |
Refinement procedure
Resolution | 42.632 - 1.569 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20540 |
Structure solution method | Rigid Body |
RMSD bond length | 0.006 |
RMSD bond angle | 1.048 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.632 | 42.632 | 1.660 |
High resolution limit [Å] | 1.570 | 4.680 | 1.570 |
Rmerge | 0.095 | 0.026 | 0.637 |
Rmeas | 0.111 | 0.030 | 0.743 |
Total number of observations | 173422 | ||
Number of reflections | 46188 | 1787 | 7411 |
<I/σ(I)> | 10.29 | 41.67 | 1.74 |
Completeness [%] | 99.5 | 99.2 | 99.2 |
CC(1/2) | 0.997 | 0.999 | 0.524 |
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 |