1CJE

ADRENODOXIN FROM BOVINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1996-04-01
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	59.443, 77.025, 59.681
Unit cell angles	90.00, 94.83, 90.00

Refinement procedure

Resolution	8.000 * - 2.500
Rwork	0.233
R-free	0.31100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ayf
RMSD bond length	0.006 *
RMSD bond angle	1.202 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.076	0.293 *
Total number of observations	66064 *
Number of reflections	17178 *
<I/σ(I)>	27	3.9
Completeness [%]	92.0	57 *
Redundancy	3.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	4 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	23 (mg/ml)
2	1	reservoir	PEG4000	30 (%)
3	1	reservoir	Na HEPES	0.1 (M)
4	1	reservoir		150 (mM)
5	1	reservoir	ammonium sulfate	40 (mM)