7ADV

Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v)

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 PILATUS 6M
Wavelength(s)	0.97957
Spacegroup name	P 41 21 2
Unit cell lengths	158.610, 158.610, 122.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.160 - 2.650
R-factor	0.1971
Rwork	0.196
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bdz
RMSD bond length	0.003
RMSD bond angle	0.523
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (dev_3900)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.930	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.086	1.701
Rpim	0.027	0.555
Number of reflections	45907	3274
<I/σ(I)>	20.8	1.5
Completeness [%]	99.7
Redundancy	11.6
CC(1/2)	0.999	0.521

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