6DOX

Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 360 s at 21 C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8
Spacegroup name	C 1 2 1
Unit cell lengths	81.324, 37.894, 62.145
Unit cell angles	90.00, 96.71, 90.00

Refinement procedure

Resolution	19.890 - 1.450
R-factor	0.155
Rwork	0.154
R-free	0.17470
Starting model (for MR)	pdbid 1ZBL
RMSD bond length	0.008
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	Aimless (0.5.31)
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.890	19.890	1.470
High resolution limit [Å]	1.450	7.930	1.450
Rmerge	0.028	0.015	0.815
Rmeas	0.039	0.021	1.152
Rpim	0.028	0.015	0.815
Total number of observations	65086
Number of reflections	33565	215	1589
<I/σ(I)>	12.2
Completeness [%]	99.5	93.5	97.6
Redundancy	1.9	1.8	2
CC(1/2)	0.999	0.999	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	14% PEG3350, 20% glycerol, 200 mM KI, and 25 mM CaCl2