6EN1

Structure of the Tn1549 transposon Integrase (aa 82-397, R225K) in complex with a circular intermediate DNA (CI6a-DNA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976300
Spacegroup name	P 1 21 1
Unit cell lengths	77.740, 123.880, 77.750
Unit cell angles	90.00, 118.21, 90.00

Refinement procedure

Resolution	45.392 - 2.670
R-factor	0.191
Rwork	0.188
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6emy
RMSD bond length	0.004
RMSD bond angle	0.594
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.392	2.670
High resolution limit [Å]	2.600	2.600
Rmeas	0.156	1.523
Number of reflections	39879	10875
<I/σ(I)>	8.19	1.02
Completeness [%]	99.3	97.2
Redundancy	3.8	3.8
CC(1/2)	0.994	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M Na Acetate pH4.6, 30% PEG300