6ATK

Crystal structure of the human coronavirus 229E spike protein receptor binding domain in complex with human aminopeptidase N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	93
Detector technology	CCD
Collection date	2013-02-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	153.820, 153.820, 322.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.795 - 3.505
R-factor	0.2452
Rwork	0.244
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fyq
RMSD bond length	0.003
RMSD bond angle	0.701
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.600
High resolution limit [Å]	3.500	3.500
Rpim	0.080	0.330
Number of reflections	55989	5490
<I/σ(I)>	10.9	2.7
Completeness [%]	99.6	99.8
Redundancy	4.1
CC(1/2)	0.990	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	8% PEG 8000, 1mM GSSG, 1mM GSH, 5% Glycerol, 100mM MES, 1ug/mL endo-beta-N-acetylglucosaminidase A