3S3M

Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and Dolutegravir (S/GSK1349572)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-05-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.91730
Spacegroup name	P 41 21 2
Unit cell lengths	160.140, 160.140, 123.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.148 - 2.490
R-factor	0.2074
Rwork	0.206
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oyb
RMSD bond length	0.011
RMSD bond angle	1.480
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.148	39.849	2.620
High resolution limit [Å]	2.490	7.870	2.490
Rmerge		0.020	0.691
Total number of observations		10257	44801
Number of reflections	55690
<I/σ(I)>	2	24.8	1.1
Completeness [%]	98.7	98.2	99.5
Redundancy	5.3	5.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	1.35 M ammonium sulfate, 25% (v/v) glycerol, 4.8% (v/v) 1,6-hexanediol, 50 mM Mes-NaOH, 1mM EDTA, pH 6.5, vapor diffusion, hanging drop, temperature 291K