4XQK

ATP-dependent Type ISP restriction-modification enzyme LlaBIII bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-27
Detector	PSI PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	62.880, 112.660, 146.210
Unit cell angles	103.30, 90.88, 105.79

Refinement procedure

Resolution	48.216 - 2.700
R-factor	0.2206
Rwork	0.218
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.056	0.670
Number of reflections	102869
<I/σ(I)>	11.2	1.2
Completeness [%]	96.4	96.3
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	potassium chloride, PEG3350