4LVL

MobM Relaxase Domain (MOBV; Mob_Pre) bound to plasmid pMV158 oriT DNA (22nt+3'Thiophosphate). Mn-bound crystal structure at pH 6.8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 61 2 2
Unit cell lengths	112.420, 112.420, 90.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.800 - 2.200
R-factor	0.18904
Rwork	0.187
R-free	0.23739
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.488
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.100	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.157
Number of reflections	16824
<I/σ(I)>	7
Completeness [%]	100.0	100
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, seeding	6.8	293	22% PEG 6000, 0.3M sodium cloride, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, seeding, temperature 293K