43SY

Crystal structure of H2-Q9/VP2.139 peptide V5A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-23
Detector	STFC Large Pixel Detector
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	54.594, 56.990, 119.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.950 - 1.800
R-factor	0.191
Rwork	0.187
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.500
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.320	1.840
High resolution limit [Å]	1.800	1.800
Rpim	0.015	0.307
Number of reflections	35337	2071
<I/σ(I)>	29.4	2.7
Completeness [%]	99.8	99.4
Redundancy	7.2	7.1
CC(1/2)	1.000	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	0.2 M ammonium acetate, 0.1M HEPES pH 7.0, 20% (w/v) PEG 3350