6GCF

DNA binding domain of restriction endonuclease McrBC in complex with N4-methylcytosine 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	2015-06-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	36.280, 69.675, 145.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.810 - 1.550
R-factor	0.1389
Rwork	0.134
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ssc
RMSD bond length	0.018
RMSD bond angle	1.457
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.810	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.040	0.402
Number of reflections	108317	10618
<I/σ(I)>	28.36	5.38
Completeness [%]	99.9	99.16
Redundancy	6.5	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M LiCl, 17% PEG4000