1AFL

RIBONUCLEASE A IN COMPLEX WITH 5'-DIPHOSPHOADENOSINE 2'-PHOSPHATE AT 1.7 ANGSTROM RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1995-10
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	101.930, 33.440, 73.690
Unit cell angles	90.00, 90.08, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.217
Rwork	0.217
R-free	0.27800
RMSD bond length	0.009
RMSD bond angle	25.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.090 *
Total number of observations	87383 *
Number of reflections	25897
<I/σ(I)>	9.9	8.8
Completeness [%]	93.1	89.2
Redundancy	3.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	16 *	PROTEIN WAS CRYSTALLIZED FROM 10% PEG 4000, 10 MM SODIUM CITRATE, PH 5.5 AND THEN SOAKED WITH 10 MM 5-DIPHOSPHOADENOSINE 2'- PHOSPHATE FOR 3 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)