1F56

SPINACH PLANTACYANIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	37.500, 41.832, 158.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.050
R-factor	0.162 *
Rwork	0.162
R-free	0.21250
RMSD bond length	0.008
RMSD bond angle	1.441
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.124	0.383
Total number of observations	144862 *
Number of reflections	15771
<I/σ(I)>	10.3
Completeness [%]	95.9	87.8
Redundancy	3.4	3.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	293	ammonium sulfate, potassium/sodium tartrate, sodium citrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	HEPES-NaOH	5 (mM)
3	1	reservoir	ammonium sulfate	2.3 (M)
4	1	reservoir	potassium/sodium tartrate	0.2 (M)
5	1	reservoir	sodium citrate	0.1 (M)