5RCV
PanDDA analysis group deposition -- Endothiapepsin ground state model 17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.827 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.344, 72.967, 52.565 |
Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
Resolution | 42.840 - 0.950 |
R-factor | 0.1599 |
Rwork | 0.159 |
R-free | 0.15987 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.018 |
RMSD bond angle | 1.938 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.840 | 50.000 | 1.010 |
High resolution limit [Å] | 0.950 | 2.840 | 0.950 |
Rmerge | 0.044 | 0.032 | 1.691 |
Rmeas | 0.048 | 0.035 | 1.902 |
Total number of observations | 1229130 | ||
Number of reflections | 180628 | 7484 | 21611 |
<I/σ(I)> | 17.06 | 57.75 | 0.72 |
Completeness [%] | 93.3 | 0.965 | 0.656 |
Redundancy | 6.458 | 6.27 | 3.04 |
CC(1/2) | 0.999 | 0.998 | 0.336 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000 |