1EJ7

CRYSTAL STRUCTURE OF UNACTIVATED TOBACCO RUBISCO WITH BOUND PHOSPHATE IONS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1997-05-25
Detector	MACSCIENCE
Spacegroup name	I 4 2 2
Unit cell lengths	149.180, 149.180, 138.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.450
Rwork	0.149
R-free	0.19700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.084	0.339
Number of reflections	27448
<I/σ(I)>	12
Completeness [%]	95.1	92.2
Redundancy	3.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	liquid-liquid diffusion *	5.2	25 *	10microL of (tobacco rubisco 20-50mg/ml in (tris-Cl 50mm pH 7.4 at 4degC, MgCl2 20mM, NaHCO3 20mM, EDTA 0.1mM, beta-mercaptoethanol 50mM)) and 35 microL of (K2HPO4 200mM, NH4K2PO4 300mM, NaN3, plus HCl to pH 5.2 at 24degC) is sealed, in contact, in a 7mm glass capillary, LIQUID DIFFUSION, temperature 295K
1	liquid-liquid diffusion *	5.2	25 *	10microL of (tobacco rubisco 20-50mg/ml in (tris-Cl 50mm pH 7.4 at 4degC, MgCl2 20mM, NaHCO3 20mM, EDTA 0.1mM, beta-mercaptoethanol 50mM)) and 35 microL of (K2HPO4 200mM, NH4K2PO4 300mM, NaN3, plus HCl to pH 5.2 at 24degC) is sealed, in contact, in a 7mm glass capillary, LIQUID DIFFUSION, temperature 295K
1	liquid-liquid diffusion *	5.2	25 *	10microL of (tobacco rubisco 20-50mg/ml in (tris-Cl 50mm pH 7.4 at 4degC, MgCl2 20mM, NaHCO3 20mM, EDTA 0.1mM, beta-mercaptoethanol 50mM)) and 35 microL of (K2HPO4 200mM, NH4K2PO4 300mM, NaN3, plus HCl to pH 5.2 at 24degC) is sealed, in contact, in a 7mm glass capillary, LIQUID DIFFUSION, temperature 295K
1	liquid-liquid diffusion *	5.2	25 *	10microL of (tobacco rubisco 20-50mg/ml in (tris-Cl 50mm pH 7.4 at 4degC, MgCl2 20mM, NaHCO3 20mM, EDTA 0.1mM, beta-mercaptoethanol 50mM)) and 35 microL of (K2HPO4 200mM, NH4K2PO4 300mM, NaN3, plus HCl to pH 5.2 at 24degC) is sealed, in contact, in a 7mm glass capillary, LIQUID DIFFUSION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		0.2 (M)
2	1	1		0.3 (M)
4	1	1	phosphate	389 (mM)