5MMB

Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	160.490, 160.490, 123.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.765 - 2.770
R-factor	0.1848
Rwork	0.184
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4be2
RMSD bond length	0.004
RMSD bond angle	0.587
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.770	2.840
High resolution limit [Å]	2.770	2.770
Rmerge	0.072	1.075
Number of reflections	40992
<I/σ(I)>	18.9	2
Completeness [%]	98.8	97.4
Redundancy	7.2	7.3

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