5N11

Crystal structure of Human beta1-coronavirus OC43 NL/A/2005 Hemagglutinin-Esterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-05-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	77.729, 77.729, 299.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.410 - 2.450
R-factor	0.21333
Rwork	0.211
R-free	0.24924
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cl5
RMSD bond length	0.005
RMSD bond angle	1.120
Data reduction software	MOSFLM (7.1.2)
Data scaling software	Aimless (0.5.12)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.900	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.093	0.377
Number of reflections	39833	4378
<I/σ(I)>	10.9	3.8
Completeness [%]	99.3	98.8
Redundancy	5.9	5.4
CC(1/2)	0.997	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2M NaCl, 10mM KCl, 0.1M NaAc pH 5.0 and 20% PEG6000 (w/v)