5RCZ
PanDDA analysis group deposition -- Endothiapepsin ground state model 21
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 | 45.114, 73.035, 52.353 |
Unit cell angles | 90.00, 109.07, 90.00 |
Refinement procedure
Resolution | 49.530 - 1.040 |
R-factor | 0.1566 |
Rwork | 0.156 |
R-free | 0.15656 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.926 |
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] | 49.530 | 50.000 | 1.100 |
High resolution limit [Å] | 1.040 | 3.110 | 1.040 |
Rmerge | 0.050 | 0.030 | 1.499 |
Rmeas | 0.054 | 0.033 | 1.621 |
Total number of observations | 1029390 | ||
Number of reflections | 142952 | 5793 | 23210 |
<I/σ(I)> | 15 | 54.77 | 1.09 |
Completeness [%] | 97.2 | 0.98 | 0.928 |
Redundancy | 6.837 | 6.56 | 6.28 |
CC(1/2) | 0.999 | 0.999 | 0.508 |
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 |