4RZL

DNA recognition domain of the cytosine modification-dependent restriction endonuclease LpnPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0012
Spacegroup name	P 61
Unit cell lengths	82.037, 82.037, 152.829
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.019 - 2.100
R-factor	0.1691
Rwork	0.166
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oc8 chain A residues 6-22 31-85 97-208
RMSD bond length	0.010
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.2.05)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.400	41.400	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.032	0.524
Total number of observations		13861	63646
Number of reflections	33984
<I/σ(I)>	21.5	17.2	1.4
Completeness [%]	100.0	99.7	100
Redundancy	12.9	12.5	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.16 M (NH4)2SO4, 0.08 M Na-HEPES, 20% w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K