4R3D

Crystal structure of MERS Coronavirus papain like protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	200
Detector technology	CCD
Collection date	2013-12-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	136.624, 136.624, 239.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.596 - 2.818
R-factor	0.1869
Rwork	0.185
R-free	0.22430
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.214
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.818	2.820
Number of reflections	27767
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.1M sodium chloride, 0.1M HEPES (pH 7.0), 1.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K