5QBN
Crystal structure of Endothiapepsin-NAT14-350193 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 | 45.364, 73.072, 52.847 |
Unit cell angles | 90.00, 109.24, 90.00 |
Refinement procedure
Resolution | 42.831 - 1.403 |
R-factor | 0.1283 |
Rwork | 0.127 |
R-free | 0.17260 |
Structure solution method | Rigid Body |
RMSD bond length | 0.007 |
RMSD bond angle | 1.183 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.831 | 42.831 | 1.490 |
High resolution limit [Å] | 1.400 | 4.190 | 1.400 |
Rmerge | 0.063 | 0.021 | 0.510 |
Rmeas | 0.074 | 0.024 | 0.614 |
Total number of observations | 226517 | ||
Number of reflections | 61916 | 2441 | 8690 |
<I/σ(I)> | 12.61 | 52.01 | 1.94 |
Completeness [%] | 97.3 | 99.2 | 84.9 |
CC(1/2) | 0.999 | 0.999 | 0.586 |
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 |