7T13

Hexameric HIV-1 (M-group) CA Q50Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97945
Spacegroup name	C 1 2 1
Unit cell lengths	90.289, 156.609, 118.890
Unit cell angles	90.00, 107.33, 90.00

Refinement procedure

Resolution	78.300 - 3.150
R-factor	0.2062
Rwork	0.205
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h47
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.300	78.300	3.370
High resolution limit [Å]	3.150	8.910	3.150
Rmerge	0.198	0.089	0.539
Rmeas	0.247	0.111	0.682
Rpim	0.146	0.066	0.414
Total number of observations	65258	2900	10927
Number of reflections	25912	1144	4636
<I/σ(I)>	3.6	5.9	1.9
Completeness [%]	95.4	93.8	94.2
Redundancy	2.5	2.5	2.4
CC(1/2)	0.943	0.961	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	Crystallant: 19% (v/v) PEG 550MME, 100 mM TRIS (pH 8.0), 150 mM KSCN, 10 mM ATP, 3% (v/v) 3,5-hexanediol. Crystals grew in 2 ul protein (13 mg/ml) + 2 ul crystallant. Cryoprotected in 20% (v/v) MPD