43RZ

Crystal structure of H2-Q9/VP2.139

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	54.714, 57.288, 120.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.570 - 2.000
R-factor	0.2151
Rwork	0.212
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.610
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]	40.570	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.064	0.225
Rmeas	0.070	0.241
Rpim	0.026	0.086
Number of reflections	26306	1937
<I/σ(I)>	29.1	11.6
Completeness [%]	99.5	100
Redundancy	13.9
CC(1/2)	0.999	0.990

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