1C0N

CSDB PROTEIN, NIFS HOMOLOGUE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-06-17
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 43 21 2
Unit cell lengths	128.100, 128.100, 137.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.19
Rwork	0.187
R-free	0.23900
RMSD bond length	0.003
RMSD bond angle	0.821
Phasing software	MLPHARE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.600	3.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.072	0.216
Total number of observations	73138 *
Number of reflections	23770 *
<I/σ(I)>	9.62
Completeness [%]	94.2	88.5
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	25 *	sodium acetate, pottasium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	20 (mg/ml)
2	1	reservoir	potassium phosphate	100 (mM)
3	1	reservoir	sodium acetate	1.4 (M)
4	1	reservoir	PLP	0.01 (mM)