1AZL

G61V FLAVODOXIN MUTANT FROM DESULFOVIBRIO VULGARIS

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1992-04
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	56.490, 88.140, 35.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.175 *
Rwork	0.175
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RECOMBINANT FLAVODOXIN
RMSD bond length	0.016
RMSD bond angle	0.045 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.059 *	0.441 *
Total number of observations	87934 *
Number of reflections	19560 *
<I/σ(I)>	10.2	1.6
Completeness [%]	98.0 *	82.6 *
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	18 *	PROTEIN SEED CRYSTALS WERE OBTAINED FROM 60-70% AMMONIUM SULFATE, 10MM TRIS PH 7.0, 1-2% ACETONE. MACROSEEDS WERE TRANSFERRED TO THE ABOVE SOLUTION WITH NO ACETONE PRESENT., macroseeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	acetone	1-2 (%(v/v))
2	1	drop	Tris-HCl	10 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	ammonium sulfate	60-70 (%)