7DYD
Crystal structure of MERS-CoV N-NTD complexed with ligand P4-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 273.15 |
Detector technology | CCD |
Collection date | 2017-04-25 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.638, 109.370, 92.179 |
Unit cell angles | 90.00, 101.18, 90.00 |
Refinement procedure
Resolution | 29.550 - 2.390 |
R-factor | 0.2607 |
Rwork | 0.258 |
R-free | 0.29520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j3k |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 5.120 | 2.470 |
High resolution limit [Å] | 2.380 | 4.070 | 2.380 |
Rmerge | 0.091 | 0.062 | 0.454 |
Rmeas | 0.098 | 0.067 | 0.490 |
Rpim | 0.036 | 0.024 | 0.183 |
Number of reflections | 43168 | 2760 | 2630 |
<I/σ(I)> | 7.8 | ||
Completeness [%] | 98.8 | 99.4 | 98.2 |
Redundancy | 7.6 | 7.5 | 7.1 |
CC(1/2) | 0.995 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Protein 5 mg/mL, Tris-HCl (pH=7.5) 25 mM, NaCl 75 mM, MES (pH=5.5) 140 mM ,(NH4)2SO4 75 mM, PEG 3350 29 %, NaBr 2 mM, ligands 2 mM |