6DPM

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 1800 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	2015-06-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	81.843, 37.454, 62.728
Unit cell angles	90.00, 97.69, 90.00

Refinement procedure

Resolution	20.086 - 1.677
R-factor	0.1616
Rwork	0.160
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1ZBL
RMSD bond length	0.008
RMSD bond angle	0.988
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]	20.090	20.090	1.710
High resolution limit [Å]	1.680	9.030	1.680
Rmerge	0.048	0.019	0.732
Rmeas	0.068	0.027	1.035
Rpim	0.048	0.019	0.732
Total number of observations	41867
Number of reflections	21641	140	909
<I/σ(I)>	9
Completeness [%]	98.9	90.9	80.2
Redundancy	1.9	1.7	1.9
CC(1/2)	0.998	0.998	0.467

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