4XAK

Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	47.795, 146.879, 200.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.449 - 2.450
R-factor	0.2008
Rwork	0.198
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kqz
RMSD bond length	0.002
RMSD bond angle	0.624
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1702))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.114	0.054	0.475
Rmeas	0.129	0.061	0.555
Rpim	0.060	0.029	0.278
Total number of observations	181576
Number of reflections	48854
<I/σ(I)>	6.3		1.3
Completeness [%]	91.5	95.2	52.6
Redundancy	3.7	3.8	2.5
CC(1/2)		0.995	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 2000MME, 100 mM HEPES, pH7.5