7HGA
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1980894300
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-19 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.918076 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.660, 41.949, 158.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.580 - 1.570 |
R-factor | 0.22434 |
Rwork | 0.222 |
R-free | 0.27161 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.810 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.550 | 1.650 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.081 | 1.548 |
Rmeas | 0.089 | 1.719 |
Rpim | 0.036 | 0.737 |
Total number of observations | 240054 | 30766 |
Number of reflections | 39405 | 5755 |
<I/σ(I)> | 10.3 | 1.1 |
Completeness [%] | 98.2 | |
Redundancy | 6.1 | 5.3 |
CC(1/2) | 0.998 | 0.434 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 28% PEG MME 2000; 0.15 M ammonium sulfate; 0.1 M sodium acetate pH 4.6 |