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ROOM TEMPERATURE CRYSTAL STRUCTURE FLAVODOXIN D. VULGARIS MUTANT Y98H AT 2.0 ANG. RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1991-02-04
Detector	XENTRONICS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.960, 61.450, 57.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.172
Rwork	0.172
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Flavodoxin D.vulgaris p2a
RMSD bond length	0.013 *
RMSD bond angle	2.600
Data scaling software	X-GEN
Phasing software	MERLOT
Refinement software	PROFFT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	8.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.060
Number of reflections	9294
<I/σ(I)>	5
Completeness [%]	90.0	98
Redundancy	1.5	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	293	3.2 M Ammonium Sulfate, Tris.buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	0.8-1.0 (%)
2	1	2	ammonium sulfate	3.1 (M)
3	1	2	Tris-HCl	0.1 (M)