5QBT
Crystal structure of Endothiapepsin-NAT17-346985 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 | 45.282, 73.275, 53.035 |
Unit cell angles | 90.00, 109.85, 90.00 |
Refinement procedure
Resolution | 41.235 - 1.299 |
R-factor | 0.1264 |
Rwork | 0.125 |
R-free | 0.16390 |
Structure solution method | Rigid Body |
RMSD bond length | 0.007 |
RMSD bond angle | 1.236 |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.591 | 42.591 | 1.380 |
High resolution limit [Å] | 1.300 | 3.880 | 1.300 |
Rmerge | 0.073 | 0.024 | 0.650 |
Rmeas | 0.084 | 0.027 | 0.755 |
Total number of observations | 300188 | ||
Number of reflections | 76725 | 3020 | 12032 |
<I/σ(I)> | 10.81 | 47.37 | 1.68 |
Completeness [%] | 95.7 | 97.9 | 93.2 |
CC(1/2) | 0.999 | 0.999 | 0.570 |
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 |