5ZU9

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

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	2015-10-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	41.421, 39.423, 45.514
Unit cell angles	90.00, 102.30, 90.00

Refinement procedure

Resolution	28.239 - 1.499
R-factor	0.1528
Rwork	0.150
R-free	0.17720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dus
RMSD bond length	0.006
RMSD bond angle	0.894
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.239	1.536
High resolution limit [Å]	1.499	1.499
Number of reflections	23151
<I/σ(I)>	21.837	2.941
Completeness [%]	99.9	100
Redundancy	4.3	4.3
CC(1/2)		0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283	1.6M sodium citrate, 0.1M HEPES sodium pH7.5