8D3B

Hexameric HIV-1 (M-group) Q50Y/R120 mutant

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	2015-04-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	90.920, 157.310, 120.400
Unit cell angles	90.00, 107.28, 90.00

Refinement procedure

Resolution	64.920 - 3.300
R-factor	0.2408
Rwork	0.239
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t13
RMSD bond length	0.002
RMSD bond angle	0.395
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.7)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.010	76.010	3.520
High resolution limit [Å]	3.290	9.320	3.290
Rmerge	0.192	0.060	0.595
Rmeas	0.229	0.073	0.710
Rpim	0.123	0.041	0.382
Total number of observations	80466	3618	13931
Number of reflections	24392	1104	4366
<I/σ(I)>	5	12.4	2
Completeness [%]	99.7	99.6	99
Redundancy	3.3	3.3	3.2
CC(1/2)	0.976	0.978	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	20% PEG550MME, 0.1M TRIS (pH 8.0), 0.15M KSCN, 10mM ATP, 3% EtOH