43SR

Crystal structure of H2-Q9/VP2.139 peptide N4A 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	2014-09-01
Detector	STFC Large Pixel Detector
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	54.489, 56.827, 119.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.260 - 2.030
R-factor	0.208
Rwork	0.206
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.932
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]	41.180	2.080
High resolution limit [Å]	2.030	2.030
Rpim	0.018	0.167
Number of reflections	24808	1757
<I/σ(I)>	24	4.5
Completeness [%]	99.8	98.5
Redundancy	7.1	7.1
CC(1/2)	1.000	0.908

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