6M3L

Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(nonspecific) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-05-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	84.153, 84.153, 140.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.076 - 2.750
R-factor	0.2844
Rwork	0.283
R-free	0.30650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iff
RMSD bond length	0.004
RMSD bond angle	0.658
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.840	2.900
High resolution limit [Å]	2.750	2.750
Rmeas	0.064	0.752
Rpim	0.035	0.422
Number of reflections	15362	2201
<I/σ(I)>	11.8
Completeness [%]	99.0	99
Redundancy	4.3	4.3
CC(1/2)	0.999	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M Bis-Tris pH 6.0 and 50% MPD