6F1S

C-terminal domain of CglI restriction endonuclease H subunit

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.9802, 0.9803, 0.9779
Spacegroup name	P 61 2 2
Unit cell lengths	75.704, 75.704, 95.044
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.477 - 2.400
R-factor	0.1759
Rwork	0.172
R-free	0.21470
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	SHELXDE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.967	53.967	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.038	0.258
Rmeas	0.082	0.053	0.270
Rpim	0.013	0.009	0.045
Total number of observations	245242
Number of reflections	6654	269	874
<I/σ(I)>	51.3	13.7	2.6
Completeness [%]	98.6	99.5	91.5
Redundancy	36.9	28.9	35.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Crystallization buffer was 0.1 M Tris-HCl (pH 8.5), 27% PEG3350, 7% Tacsimate