3S3O

Crystal structure of the Prototype Foamy Virus (PFV) N224H 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	160.440, 160.440, 123.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.140 - 2.550
R-factor	0.2095
Rwork	0.208
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oyn
RMSD bond length	0.011
RMSD bond angle	1.524
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]	39.141	39.141	2.690
High resolution limit [Å]	2.550	8.060	2.550
Rmerge		0.038	0.955
Total number of observations		13764	48534
Number of reflections	52365
<I/σ(I)>	2	14	0.8
Completeness [%]	99.2	95.9	95.5
Redundancy	8.6	7.8	6.7

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