1GAO

CRYSTAL STRUCTURE OF THE L44S MUTANT OF FERREDOXIN I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-17
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	C 1 2 1
Unit cell lengths	130.800, 85.600, 67.200
Unit cell angles	90.00, 117.90, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.243
Rwork	0.243
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fd1
RMSD bond length	0.015
RMSD bond angle	2.700
Data reduction software	MOSFLM
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.136
Number of reflections	30964
Completeness [%]	93.3
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4 *	2 *	Shen, B., (1994) J. Biol. Chem., 269, 8564. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-10 (mg/ml)
2	1	drop	potassium phosphate	0.5 (M)
3	1	drop	ammonium sulfate	1.2 (M)
4	1	reservoir	ammonium sulfate	3.5 (M)