1O0O

Ribonuclease A in complex with adenosine-2',5'-diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-21
Detector	MARRESEARCH
Wavelength(s)	1.00061
Spacegroup name	C 1 2 1
Unit cell lengths	99.852, 32.528, 72.383
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	29.360 - 1.200
R-factor	0.19431
Rwork	0.194
R-free	0.22800 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1afu
RMSD bond length	0.011
RMSD bond angle	1.700 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.038 *	0.226 *
Total number of observations	949552 *
Number of reflections	67242
<I/σ(I)>	30.9
Completeness [%]	92.9 *	71.2
Redundancy	14.1	2.8

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