3VN5

Crystal structure of Aquifex aeolicus RNase H3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-10
Detector	BRUKER SMART 6500
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	48.943, 48.943, 293.217
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.870 - 1.980
R-factor	0.20603
Rwork	0.204
R-free	0.23844
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d0a
RMSD bond length	0.009
RMSD bond angle	1.049
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.104	0.060	0.289
Number of reflections	29839
<I/σ(I)>	6.1
Completeness [%]	100.0	99.9	100
Redundancy	21.3	18.7	21.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	0.1M citrate buffer (pH 4.0), 0.2M sodium citrate, 20% w/v polyethylene glycol (PEG) 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K