4OQ2

5hmC specific restriction endonuclease PvuRTs1I

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	2013-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	P 41 21 2
Unit cell lengths	61.990, 61.990, 210.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.830 - 2.350
R-factor	0.20563
Rwork	0.203
R-free	0.25397
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.293
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.048	0.970
Number of reflections	17509
<I/σ(I)>	19.5	2.2
Completeness [%]	96.6	99
Redundancy	5.7	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	10% w/v PEG4000, 20% v/v glycerol, 20 mM D-glucose, 20 mM D-mannose, 20 mM D-galactose, 20 mM L-fucose, 20 mM D-xylose, 20 mM N-acetyl-D-glucosamine, 0.1 M MOPS/HEPES sodium, pH 7.5, for cryoprotection, crystals were transferred to a variant of the buffer with 28% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K