7FD1

7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1998-10
Detector	SIEMENS HI-STAR
Spacegroup name	P 41 21 2
Unit cell lengths	54.460, 54.460, 92.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.300
R-factor	0.158
Structure solution method	OTHER
Starting model (for MR)	6fd1
RMSD bond length	0.011
RMSD bond angle	2.210 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	TRIVIAL (CASE)
Refinement software	SHELXL (97)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.400
High resolution limit [Å]	1.300	1.300
Rmerge	0.082 *	0.340 *
Total number of observations	122037 *
Number of reflections	29311
<I/σ(I)>	17.9	0.82
Completeness [%]	82.8	51.5
Redundancy	3.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.4 *	4 *	PROTEIN CRYSTALLIZED FROM 60% SAT. AMMONIUM SULFATE, 0.4M TRIS-HCL, PH 7.8 THE CRYSTALS WERE SOAKED IN 0.15M TRIS/HCL PH 8.5 BEFORE DATA COLLECTION. STARTING MODEL IN THE REFINEMENT WAS PDB ENTRY 6FD1.

Crystallization Reagents in Literatures

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