5JPA

Hexameric HIV-1 CA H12Y 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)	0.9794
Spacegroup name	P 6
Unit cell lengths	90.600, 90.600, 56.931
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.930 - 1.700
R-factor	0.199
Rwork	0.197
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h47
RMSD bond length	0.006
RMSD bond angle	1.009
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless (0.4.10)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.930	56.930	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.095	0.063	0.813
Rmeas	0.105
Rpim	0.043
Total number of observations	133997
Number of reflections	27756
<I/σ(I)>	9
Completeness [%]	95.1	92	94.7
Redundancy	4.8	5.7	4.9
CC(1/2)	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	PEG 550MME (12% w/v), KSCN (0.15M), 0.1M TRIS