1UPP

SPINACH RUBISCO IN COMPLEX WITH 2-CARBOXYARABINITOL 2 BISPHOSPHATE and Calcium.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	279
Detector technology	CCD
Collection date	2000-05-15
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	155.880, 156.250, 199.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.100 *
R-factor	0.25862
Rwork	0.256
R-free	0.30000 *
Structure solution method	OTHER
RMSD bond length	0.016 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.120
High resolution limit [Å]	2.100 *	2.100
Rmerge	0.076	0.240 *
Total number of observations	1884294 *
Number of reflections	108187
<I/σ(I)>	13	3.1
Completeness [%]	76.1	70
Redundancy	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8		10% PEG 4000, 0.1M HEPES PH 7.8, 10 MM CACL2, 0.2 M NACL, 50 MM NAHCO3, 0.1 M 3PGA THEN SOAKED IN 2-CABP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		50 (mM)
10	1	reservoir	PEG4000	10-14 (%(w/v))
2	1	drop		10 (mM)
3	1	drop	HEPES	0.1 (M)	pH7.8
4	1	drop	protein	60 (mg/ml)
5	1	drop	3PGA	100 (mM)
6	1	reservoir	HEPES	0.1 (M)	pH7.8
7	1	reservoir		0.1 (M)
8	1	reservoir		10 (mM)
9	1	reservoir		0.1-0.2 (M)