5RCN
PanDDA analysis group deposition -- Endothiapepsin ground state model 08
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 | 45.287, 72.929, 52.523 |
Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
Resolution | 49.640 - 1.030 |
R-factor | 0.1524 |
Rwork | 0.152 |
R-free | 0.15241 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.018 |
RMSD bond angle | 1.962 |
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] | 49.640 | 50.000 | 1.090 |
High resolution limit [Å] | 1.030 | 3.080 | 1.030 |
Rmerge | 0.055 | 0.032 | 1.559 |
Rmeas | 0.059 | 0.035 | 1.703 |
Total number of observations | 1068155 | ||
Number of reflections | 150694 | 6042 | 24671 |
<I/σ(I)> | 14.39 | 56.56 | 1.08 |
Completeness [%] | 99.1 | 0.991 | 0.955 |
Redundancy | 6.727 | 6.82 | 6.09 |
CC(1/2) | 0.999 | 0.999 | 0.429 |
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 |