5VXR

The antigen-binding fragment of MAb24 in complex with a peptide from Hepatitis C Virus E2 epitope I (412-423)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	70.370, 53.338, 133.903
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	14.110 - 1.400
R-factor	0.172
Rwork	0.171
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gag
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS (20151015)
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.6.0)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.480	42.480	1.390
High resolution limit [Å]	1.360	7.460	1.360
Rmerge	0.050	0.036	3.069
Rmeas	0.054	0.039	3.679
Rpim	0.019	0.014	1.985
Number of reflections	67898
<I/σ(I)>	32.9
Completeness [%]	64.2	95.1	4.2
Redundancy	8	7	2.9
CC(1/2)	0.999	0.998	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	12.5% PEG3000, 100 mM sodium chloride, 100 mM sodium phosphate dibasic/citric acid, pH 6.2