3BGF

X-ray crystal structure of the SARS coronavirus spike receptor binding domain in complex with F26G19 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	183.688, 73.365, 110.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.000
R-factor	0.237
Rwork	0.234
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2DDB 1keg
RMSD bond length	0.006
RMSD bond angle	1.077
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.132	0.044	0.751
Number of reflections	35508
<I/σ(I)>	6.3
Completeness [%]	94.4	99.9	69.9
Redundancy	5.2	5.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M MES, 14% PEG 20000, 10-15% glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K