1AFK

CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'-DIPHOSPHOADENOSINE-3'-PHOSPHATE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-07
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	101.540, 33.360, 73.250
Unit cell angles	90.00, 90.09, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.211
Rwork	0.211
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rn3
RMSD bond length	0.009
RMSD bond angle	25.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.770
High resolution limit [Å]	1.700	1.700
Rmerge	0.057 *
Total number of observations	73892 *
Number of reflections	24687
<I/σ(I)>	9.2	1.95
Completeness [%]	91.4	82.4
Redundancy	3	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	16 *	PROTEIN WAS CRYSTALLIZED FROM 20% PEG 4000, 20 MM SODIUM CITRATE, PH 5.5 AND THEN SOAKED WITH 1MM 5' DIPHOSPHOADENOSINE 3'-PHOSPHATE FOR 2.5 HRS AT 16 C, temperature 289K

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