5VYH
Crystal Structure of MERS-CoV S1 N-terminal Domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.18076 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.800, 84.370, 108.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.482 - 2.000 |
R-factor | 0.1921 |
Rwork | 0.191 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | EM density |
RMSD bond length | 0.004 |
RMSD bond angle | 0.765 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.186 | 0.700 |
Rmeas | 0.201 | 0.777 |
Rpim | 0.075 | 0.325 |
Total number of observations | 216171 | |
Number of reflections | 31311 | |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.3 | 92.5 |
Redundancy | 6.9 | 5.4 |
CC(1/2) | 0.985 | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 6.6%(w/v) PEG 8000, 0.99%(v/v) MPD, 0.1M Imidazole/ Hydrochloric acid pH 6.5 |