1JAX

Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1.004
Spacegroup name	P 1 21 1
Unit cell lengths	38.640, 72.140, 70.400
Unit cell angles	90.00, 90.12, 90.00

Refinement procedure

Resolution	19.860 - 1.800
R-factor	0.185
Rwork	0.185
R-free	0.22100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model from hexagonal crystals (P6(2)22) of FNO solved by MAD phasing but not refined
RMSD bond length	0.010
RMSD bond angle	1.480 *
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]	50.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.057	0.710 *
Number of reflections	35340 *
<I/σ(I)>	17.2	11
Completeness [%]	98.5 *	99.2 *
Redundancy	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	4 *	30% MPD, 0.1 M Na ac, 0.05 M MgCl2, pH 4.6, 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	reservoir	MPD	30 (%)
3	1	reservoir	acetate/NaOH	0.1 (M)	pH4.6
4	1	reservoir		0.4 (M)