1JN4

The Crystal Structure of Ribonuclease A in complex with 2'-deoxyuridine 3'-pyrophosphate (P'-5') adenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07-22
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	99.822, 32.291, 72.061
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.2251
Rwork	0.225
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1afu
RMSD bond length	0.009
RMSD bond angle	27.000 *
Data reduction software	AUTOMAR
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.086 *	0.262 *
Total number of observations	41852 *
Number of reflections	18095
Completeness [%]	84.5	80.8
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	16 *	Leonidas, D.D., (1997) Biochemistry, 36, 5578. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium citrate	10 (mM)
3	1	drop	PEG4000	10 (%)
4	1	reservoir	PEG4000	20 (%)
5	1	reservoir	sodium citrate	20 (M)	pH5.5