1JFZ

Crystal Structure of MN(II)-Complex of RNAse III Endonuclease Domain from Aquifex Aeolicus at 2.10 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-21
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	49.741, 140.549, 49.759
Unit cell angles	90.00, 117.42, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.191 *
Rwork	0.195
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1I4S
RMSD bond length	0.005
RMSD bond angle	0.018
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.059	0.185
Total number of observations	72740 *
Number of reflections	33591
<I/σ(I)>	10.3132	2.985
Completeness [%]	92.9	74.7
Redundancy	2.165	2.023

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18-20 *	PEG4000, TRIS-HCL, ACETATE, CHLORIDE, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop		0.6 (M)
3	1	drop	Tris-HCl	25 (mM)	pH7.5
4	1	reservoir	PEG4000	30 (%(w/v))
5	1	reservoir	sodium acetate	0.2 (M)
6	1	reservoir	Tris-HCl	0.1 (M)	pH8.5