6XCY
Porcine pepsin in complex with ritonavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.12721 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 66.160, 66.160, 285.522 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 53.170 - 2.050 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pep |
RMSD bond length | 0.010 |
RMSD bond angle | 1.099 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.170 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.100 | 0.560 |
Rmeas | 0.130 | 0.730 |
Rpim | 0.084 | 0.460 |
Number of reflections | 23751 | 1831 |
<I/σ(I)> | 6.3 | 2.3 |
Completeness [%] | 98.2 | 99.8 |
Redundancy | 3.1 | 3.2 |
CC(1/2) | 0.989 | 0.593 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 3.5 M Ammonium Chloride, 0.1 M sodium acetate pH 4.6 |