5DUS

Crystal structure of MERS-CoV macro domain in complex with ADP-ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00545
Spacegroup name	C 2 2 21
Unit cell lengths	41.798, 120.807, 67.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.530 - 1.432
R-factor	0.1295
Rwork	0.127
R-free	0.16190
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.213
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	22.530
High resolution limit [Å]	1.430
Number of reflections	31889
<I/σ(I)>	100.66
Completeness [%]	99.8
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	phosphate-citrate, ammonium sulfate, nicotinamide adenine dinucleotide