6G3B

AvaII restriction endonuclease in complex with an RNA/DNA hybrid

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	2013-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.27820
Spacegroup name	P 1 21 1
Unit cell lengths	37.680, 104.050, 78.290
Unit cell angles	90.00, 93.27, 90.00

Refinement procedure

Resolution	52.025 - 1.800
R-factor	0.1694
Rwork	0.168
R-free	0.20210
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	1.307
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.025	1.850
High resolution limit [Å]	1.800	1.800
Rmeas	0.051	0.798
Number of reflections	53209	4000
<I/σ(I)>	12.96	1.86
Completeness [%]	95.4	97.2
Redundancy	2.6	2.6
CC(1/2)	0.998	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	10% W/V PEG 20000, 20% V/V PEG MME 550, 0.02 M Na-Formate; 0.02 M NH4-Acetate; 0.02 M Na3-Citrate; 0.02 M NaK-Tartrate (racemic); 0.02 M Na-Oxamate AND 0.1 M MOPS/HEPES-NA, PH 7.5, GLYCEROL WAS ADDED FOR CRYOPROTECTION