1B0V

I40N MUTANT OF AZOTOBACTER VINELANDII FDI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	291
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	42.000, 55.300, 62.300
Unit cell angles	78.10, 85.20, 71.90

Refinement procedure

Resolution	20.000 - 2.800
Rwork	0.209
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fd1
RMSD bond length	0.020
RMSD bond angle	3.830 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.165 *	0.430 *
Total number of observations	17912 *
Number of reflections	11182 *
<I/σ(I)>	3	1.2
Completeness [%]	87.3	90 *
Redundancy	1.6	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.4 *	2 *	Shen, B., (1994) J. Biol. Chem., 269, 8564. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-10 (mg/ml)
2	1	drop	potassium phosphate	0.5 (M)
3	1	drop	ammonium sulfate	1.2 (M)
4	1	reservoir	ammonium sulfate	3.5 (M)