6X1J

The homing endonuclease I-WcaI bound to its DNA recognition sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-17
Detector	RAYONIX MX300HE
Wavelength(s)	0.97872
Spacegroup name	P 1 2 1
Unit cell lengths	67.601, 37.281, 94.064
Unit cell angles	90.00, 100.44, 90.00

Refinement procedure

Resolution	29.880 - 1.945
R-factor	0.229
Rwork	0.227
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r7m
RMSD bond length	0.009
RMSD bond angle	1.760
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.020
High resolution limit [Å]	1.945	1.945
Rmerge		0.720
Rmeas	0.198	0.858
Rpim	0.104	0.461
Number of reflections	33735	3306
<I/σ(I)>	6.5	1.6
Completeness [%]	99.8	99.6
Redundancy	3.6	3.3
CC(1/2)	0.964	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	21% PEG 3350, 0.1M Tris-HCl, 0.2M Lithium sulfate, 2 mM DTT