7V4R
The crystal structure of KFDV NS3H bound with Pi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978910 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.537, 53.091, 189.843 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.460 - 2.100 |
R-factor | 0.227 |
Rwork | 0.224 |
R-free | 0.25660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jno |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.460 | 2.230 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.132 | 128.800 |
Number of reflections | 26233 | 3860 |
<I/σ(I)> | 22.48 | 2.48 |
Completeness [%] | 98.5 | |
Redundancy | 23.5 | 19.4 |
CC(1/2) | 0.999 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 800 mM K2HPO4, 800 mM Na3PO4, 100 mM HEPES pH 7.5 |