5NO1

Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ407 (compound 5g)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	158.570, 158.570, 123.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.063 - 2.600
R-factor	0.1779
Rwork	0.176
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4be2
RMSD bond length	0.009
RMSD bond angle	0.762
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.290	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.025	0.550
Number of reflections	48670	4760
<I/σ(I)>	19.5	1.4
Completeness [%]	99.9	99.9
Redundancy	14.4	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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