1QFJ

CRYSTAL STRUCTURE OF NAD(P)H:FLAVIN OXIDOREDUCTASE FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-06-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	51.200, 96.920, 210.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.239
Rwork	0.239
R-free	0.29000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.064	0.235
Total number of observations	626153 *
Number of reflections	54692
<I/σ(I)>	9.3	3.9
Completeness [%]	93.2	88.2
Redundancy	6.8	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	4 *	15 % PEG 4000, 0.5 M NACL, 100 MM BIS-TRIS PROPANE PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG4000	15-20 (%)
3	1	reservoir		0.5 (M)
4	1	reservoir	bis-tris-propane	100 (mM)