3DLR

Crystal structure of the catalytic core domain from PFV integrase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 61 2 2
Unit cell lengths	52.140, 52.140, 239.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.180 - 2.200
R-factor	0.21394
Rwork	0.209
R-free	0.25922
Structure solution method	SAD
Starting model (for MR)	1cxu
RMSD bond length	0.010
RMSD bond angle	1.122
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.180	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	10584
<I/σ(I)>	17.4	3.4
Completeness [%]	99.5	99.3
Redundancy	8.9	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	1.0 M ammonium formate, 0.2 M magnesium cloride, 5 mM dithiotreitol, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	1.0 M ammonium formate, 0.2 M magnesium cloride, 5 mM dithiotreitol, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K