1C7F

D95E OXIDIZED 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	94.315, 61.933, 77.421
Unit cell angles	90.00, 127.16, 90.00

Refinement procedure

Resolution	12.000 * - 2.000
R-factor	0.1797 *
Rwork	0.183
R-free	0.23790 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.031
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.140
High resolution limit [Å]	2.000 *	2.100
Rmerge	0.061	0.224 *
Total number of observations	52226 *
Number of reflections	19635 *
<I/σ(I)>	12.6	5.8
Completeness [%]	94.1	91.9
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	18 *	70-70% A.S. 210MM TRIS-HCL PH=6.5, 200MM SODIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12-15 (mg/ml)
2	1	reservoir	ammonium sulfate	70-73 (%sat)
3	1	reservoir	Tris-HCl	200 (mM)
4	1	reservoir	sodium acetate	200 (mM)