4YR6

Fab fragment of 5G6 in complex with epitope peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	101.900, 147.060, 194.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.154 - 2.380
R-factor	0.2135
Rwork	0.211
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u9u
RMSD bond length	0.009
RMSD bond angle	1.223
Data scaling software	HKL-2000
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.380
Number of reflections	57791
<I/σ(I)>	15.3
Completeness [%]	98.3
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	1.6M (NH4)2SO4, 0.01M NiCl2, 0.1M Tris, pH 8.5