4RSD

STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1996-02-07
Detector	SIEMENS
Spacegroup name	P 32 2 1
Unit cell lengths	64.700, 64.700, 65.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rph
RMSD bond length	0.013
RMSD bond angle	16.800 *
Data reduction software	XCALIBRE
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.029 *	0.200 *
Total number of observations	56287 *
Number of reflections	27087
<I/σ(I)>	20
Completeness [%]	91.0	85
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.3	20 *	DROPS CONSISTING OF 1.5UL OF A 60MG/ML PROTEIN SOLUTION, 1.5UL OF H2O AND 3UL OF RESERVOIR SOLUTION WERE SUSPENDED OVER A 0.5ML RESERVOIR CONTAINING A SOLUTION OF 2.5M NAOAC, PH 5.3 IN SATURATING NACL. TEMP. 20C.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme solution		0.0015ml
2	1	drop	water		0.0015ml
3	1	reservoir	sodium acetate	2.5 (M)
4	1	reservoir			saturating