3RSD

STRUCTURE OF THE D121N VARIANT OF RIBONUCLEASE A

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1995-08-28
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	30.520, 38.400, 53.310
Unit cell angles	90.00, 105.70, 90.00

Refinement procedure

Resolution	30.000 - 1.600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rph
RMSD bond length	0.011
RMSD bond angle	17.100 *
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	0.019 *	0.055 *
Total number of observations	28480 *
Number of reflections	15756
<I/σ(I)>	31
Completeness [%]	89.0 *	75
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch method	5.2	20 *	LYOPHILIZED D121N RNASE A WAS DISSOLVED IN UNBUFFERED WATER TO A CONCENTRATION OF 60MG/ ML. CRYSTALLIZATION WAS PERFORMED IN SMALL SILICONIZED TUBES USING THE BATCH METHOD. A SOLUTION (25UL) OF THE ENZYME WAS MIXED WITH AN EQUAL VOLUME OF 95% (V/V) 2-METHYL-2,4-PENTANEDIOL IN 0.10 M MES BUFFER, PH 5.2. CRYSTALS APPEARED WITHIN SEVERAL MONTHS., batch method

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	30 (mg/ml)
2	1	1	MPD	47.5 (%(v/v))
3	1	1	MES-NaOH	0.05 (M)