1DS7

A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1993-03-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 41 21 2
Unit cell lengths	57.740, 57.740, 275.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 2.060
R-factor	0.208
Rwork	0.203
R-free	0.26700
RMSD bond length	0.007
RMSD bond angle	24.900 *
Data scaling software	PROFILE
Phasing software	X-PLOR
Refinement software	CNS (0.5)

Data quality characteristics

	Overall
High resolution limit [Å]	1.850 *
Rmerge	0.096 *
Total number of observations	127222 *
Number of reflections	24109 *
Completeness [%]	81.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	Peg 8000, potassium phosphate, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	potassium phosphate	50 (mM)