1C7E

D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-11-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	93.041, 61.508, 75.559
Unit cell angles	90.00, 127.06, 90.00

Refinement procedure

Resolution	12.000 * - 2.250
R-factor	0.2308 *
Rwork	0.227
R-free	0.29400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	0.047
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.764	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.660	0.314
Total number of observations	35676 *
Number of reflections	15535
<I/σ(I)>	8.8	2.4
Completeness [%]	95.4	92.9
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	18 *	70-73% A.S., 210MM TRIS-HCL, 200MM SODIUM ACETATE PH=8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12-15 (mg/ml)
2	1	drop	ammonium sulfate	30-35 (%sat)
3	1	drop	Tris-HCl	50 (mM)	or 25mM sodium phosphate containing 1mM EDTA
4	1	reservoir	ammonium sulfate	60-70 (%sat)