5JJV

Crystal structure of XerH site-specific recombinase bound to palindromic difH substrate: post-cleavage complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97908
Spacegroup name	I 2 2 2
Unit cell lengths	86.380, 115.220, 235.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.963 - 2.400
R-factor	0.1962
Rwork	0.195
R-free	0.22030
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.545
Data reduction software	XDS
Data scaling software	XDS
Phasing software	autoSHARP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.963	3.200	2.490
High resolution limit [Å]	2.400	3.150	2.400
Number of reflections	46216
<I/σ(I)>	14.9	1.89	1.51
Completeness [%]	99.9	96.2	99.5
Redundancy	8.1	2.6	8.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	279.15	0.1 M HEPES 0.2M magnesium chloride 37% PEG 400
2	VAPOR DIFFUSION	6.3	279.15	0.1 M HEPES 0.2M magnesium chloride 39% PEG 400