7ADU

Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ440 (compound 5j)

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	159.469, 159.469, 123.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.320 - 2.620
R-factor	0.2036
Rwork	0.202
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bdz
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (dev_3900)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.640	2.660
High resolution limit [Å]	2.620	2.620
Rmerge	0.167	2.200
Rpim	0.064	0.857
Number of reflections	48059	33332
<I/σ(I)>	11.1	1.1
Completeness [%]	99.4
Redundancy	14	14.5
CC(1/2)	0.990	0.722

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