1D03

REFINED STRUCTURES OF OXIDIZED FLAVODOXIN FROM ANACYSTIS NIDULANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1991-06-27
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	51.300, 59.150, 94.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.850
R-factor	0.149
Rwork	0.149
R-free	0.17200
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]	10.000 *	1.990
High resolution limit [Å]	1.850 *	1.900
Rmerge	0.047 *
Number of reflections	21005 *
Completeness [%]	84.0 *	78 *
Redundancy	3.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	4 *	used to seeding *

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)