5ZQG
Complex structure of PEDV 3CLpro mutant (C144A) with NEMO-231 peptite substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-01 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.576, 92.434, 58.029 |
Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
Resolution | 35.562 - 1.600 |
R-factor | 0.1949 |
Rwork | 0.194 |
R-free | 0.22350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xfq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.096 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rpim | 0.023 | 0.084 |
Number of reflections | 83591 | |
<I/σ(I)> | 29.96 | |
Completeness [%] | 99.0 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.1 M NaCL, 0.2M Na2HPO4:citric acid (pH 4.2), 5% PEG 3350 |