4E7K

PFV integrase Target Capture Complex (TCC-Mn), freeze-trapped prior to strand transfer, at 3.0 A resolution

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	2010-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	163.914, 163.914, 129.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.009 - 3.020
R-factor	0.2469
Rwork	0.245
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3os2
RMSD bond length	0.009
RMSD bond angle	1.313
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.180
High resolution limit [Å]	3.020	3.020
Rmerge	0.109	0.449
Number of reflections	35032
<I/σ(I)>	6.3	2
Completeness [%]	99.7	99.3
Redundancy	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	291	34% PEG-400, 180MM LI2SO4,2.5MM EDTA, 100MM TRIS-HCL, pH 7.4, VAPOR DIFFUSION, temperature 291K