6DPI

Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 200 mM Rb+ for 40 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	2015-02-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	81.620, 37.290, 62.382
Unit cell angles	90.00, 96.98, 90.00

Refinement procedure

Resolution	19.981 - 1.347
R-factor	0.1465
Rwork	0.145
R-free	0.17370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 1ZBL
RMSD bond length	0.007
RMSD bond angle	1.033
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]	19.980	19.980	1.370
High resolution limit [Å]	1.350	7.250	1.350
Rmerge	0.025	0.016	0.773
Rmeas		0.023	1.093
Rpim		0.016	0.773
Number of reflections	40007	266	1734
<I/σ(I)>	16
Completeness [%]	96.7	92.4	81.7
Redundancy	1.9	1.8	1.8
CC(1/2)		0.999	0.375

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