4XRO

Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-09-25
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 6
Unit cell lengths	90.510, 90.510, 57.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.380 - 2.010
R-factor	0.1874
Rwork	0.185
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h47
RMSD bond length	0.005
RMSD bond angle	0.857
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.384	39.192	2.110
High resolution limit [Å]	2.006	6.340	2.010
Rmerge		0.074	0.498
Rmeas	0.124
Rpim	0.050	0.034	0.226
Total number of observations	109476	3569	15201
Number of reflections	18040
<I/σ(I)>	10.1	18.3	3.6
Completeness [%]	100.0	99.6	100
Redundancy	6.1	5.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	0.1 M NaCl, 12% w/v PEG 4K, 0.1 M TRIS pH 8.5, 4% v/v formamide