1JAY

Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO) with its substrates bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.957
Spacegroup name	P 21 21 21
Unit cell lengths	54.900, 69.800, 145.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.450 - 1.650
R-factor	0.182
Rwork	0.182
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FNO
RMSD bond length	0.013
RMSD bond angle	1.590 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.700
High resolution limit [Å]	1.650	1.650
Rmerge	0.083	0.285 *
Number of reflections	58452 *
<I/σ(I)>	12.3
Completeness [%]	91.1	73.2 *
Redundancy	4.7	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	0.1 M Hepes pH7.5, 1.4 M tri-Na citrate, 1 mM F420, 1 mM NADP, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	12 (mg/ml)
2	1	drop	F420	1 (mM)
3	1	drop	NADP	1 (mM)
4	1	reservoir	HEPES-NaOH	0.1 (M)	pH7.5
5	1	reservoir	sodium citrate	1.4 (M)