5QBS
Crystal structure of Endothiapepsin-NAT17-346976 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 | 45.356, 73.676, 53.207 |
Unit cell angles | 90.00, 110.00, 90.00 |
Refinement procedure
Resolution | 42.620 - 1.528 |
R-factor | 0.1609 |
Rwork | 0.159 |
R-free | 0.21460 |
Structure solution method | Rigid Body |
RMSD bond length | 0.006 |
RMSD bond angle | 0.988 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.621 | 42.621 | 1.620 |
High resolution limit [Å] | 1.530 | 4.560 | 1.530 |
Rmerge | 0.119 | 0.035 | 0.646 |
Rmeas | 0.139 | 0.040 | 0.753 |
Total number of observations | 184806 | ||
Number of reflections | 49550 | 1911 | 7926 |
<I/σ(I)> | 8.62 | 34.41 | 1.78 |
Completeness [%] | 99.4 | 99.1 | 98.2 |
CC(1/2) | 0.996 | 0.998 | 0.434 |
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 |