1D04

COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1990-06-01
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	57.180, 69.400, 46.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.850
R-factor	0.168
Rwork	0.168
R-free	0.20700
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.930
High resolution limit [Å]	1.850 *	1.850
Rmerge	0.048 *
Number of reflections	15263 *
Completeness [%]	95.0 *	88 *
Redundancy	5.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	4 *	used to seeding, Drennan, C.L., (1999) J. Mol. Biol., 294, 711 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.5-10.2 (mg/ml)
2	1	drop	ammonium sulfate	0.96-1.4 (M)
3	1	drop	potassium phosphate	0.06-0.075 (mM)
4	1	reservoir	ammonium sulfate	2.4-2.8 (M)
5	1	reservoir	phosphate	0.15 (mM)