5RCO
PanDDA analysis group deposition -- Endothiapepsin ground state model 09
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 | 45.103, 72.882, 52.387 |
Unit cell angles | 90.00, 109.20, 90.00 |
Refinement procedure
Resolution | 42.630 - 1.210 |
R-factor | 0.1529 |
Rwork | 0.152 |
R-free | 0.15293 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.016 |
RMSD bond angle | 1.904 |
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] | 42.630 | 50.000 | 1.290 |
High resolution limit [Å] | 1.210 | 3.630 | 1.210 |
Rmerge | 0.096 | 0.053 | 1.006 |
Rmeas | 0.105 | 0.058 | 1.091 |
Total number of observations | 636052 | ||
Number of reflections | 88981 | 3679 | 14320 |
<I/σ(I)> | 11.67 | 34.67 | 2.13 |
Completeness [%] | 97.4 | 0.993 | 0.923 |
Redundancy | 6.784 | 6.57 | 6.15 |
CC(1/2) | 0.997 | 0.996 | 0.752 |
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 |