1AXQ

FERRICYANIDE OXIDIZED FDI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	291
Detector technology	AREA DETECTOR
Collection date	1996-01-10
Detector	SIEMENS
Spacegroup name	P 41 21 2
Unit cell lengths	55.600, 55.600, 95.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.255
Rwork	0.255
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fd1
RMSD bond length	0.019
RMSD bond angle	1.830 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.100	2.100
Rmerge	0.101 *
Number of reflections	8124
<I/σ(I)>	11.2	1.5
Completeness [%]	88.4	88.4
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.4 *	2 *	Stout, C.D., (1979) J. Biol. Chem., 254, 3598. *

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)