7HP0
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001
This is a non-PDB format compatible entry.
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 | 2023-09-29 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.92124 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 42.200, 42.200, 216.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.240 - 1.910 |
R-factor | 0.23152 |
Rwork | 0.228 |
R-free | 0.29153 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.633 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.220 | 1.960 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.169 | 8.694 |
Rmeas | 0.173 | 8.906 |
Rpim | 0.036 | 1.914 |
Total number of observations | 369962 | 24565 |
Number of reflections | 16256 | 1151 |
<I/σ(I)> | 9.4 | 0.5 |
Completeness [%] | 99.9 | |
Redundancy | 22.8 | 21.3 |
CC(1/2) | 0.999 | 0.397 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | 30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8) |