1F4P

Y98W FLAVODOXIN MUTANT 1.5A (D. VULGARIS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	291
Detector technology	AREA DETECTOR
Collection date	1991-03-29
Detector	SIEMENS HI-STAR
Spacegroup name	P 1 21 1
Unit cell lengths	41.290, 55.820, 32.520
Unit cell angles	90.00, 100.68, 90.00

Refinement procedure

Resolution	8.000 - 1.300
Rwork	0.098
R-free	0.16900
RMSD bond length	0.018
RMSD bond angle	2.120
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	MERLOT
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.360
High resolution limit [Å]	1.290	1.290
Rmerge	0.066	0.507
Number of reflections	31010
<I/σ(I)>	15.2
Completeness [%]	84.6	54.3
Redundancy	3.49	2.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.3	292	Ammonium Sulfate, Tris Buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 292.K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	3.2 (M)
2	1	1	Tris-HCl	0.1 (M)
3	1	2	protein	0.8-1.0 (%)