3S3N

Crystal structure of the Prototype Foamy Virus (PFV) S217H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	P 41 21 2
Unit cell lengths	160.050, 160.050, 123.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.158 - 2.490
R-factor	0.2106
Rwork	0.209
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oyl
RMSD bond length	0.012
RMSD bond angle	1.598
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]	39.158	39.158	2.620
High resolution limit [Å]	2.490	7.870	2.490
Rmerge		0.039	0.822
Total number of observations		14588	71380
Number of reflections	53300
<I/σ(I)>	2.1	15.9	0.9
Completeness [%]	94.9	85.7	96.9
Redundancy	9.3	8.9	9.1

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