1A70

SPINACH FERREDOXIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	31.000, 39.180, 83.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.700
R-factor	0.19
Rwork	0.182
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1frr
RMSD bond length	0.019
RMSD bond angle	18.500 *
Data reduction software	MOSFLM
Data scaling software	Agrovata
Phasing software	AMoRE
Refinement software	TNT (5D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.078	0.202
Total number of observations	35600 *
Number of reflections	11755
<I/σ(I)>	10	2
Completeness [%]	97.6	68
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	277 *	PROTEIN WAS CRYSTALLIZED FROM 2.6M AMMONIUM SULPHATE IN 50MM PHOSPHATE BUFFER, PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	ammonium sulfate	1.3 (M)
3	1	drop	phosphate	50 (mM)
4	1	reservoir	ammonium sulfate	2.6 (M)
5	1	reservoir	phosphate	50 (mM)