1U6I

The Structure of native coenzyme F420-dependent methylenetetrahydromethanopterin dehydrogenase at 2.2A resolution

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	2002-07-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	C 1 2 1
Unit cell lengths	150.900, 118.900, 219.200
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	19.350 - 2.200
Rwork	0.189
R-free	0.23500
Starting model (for MR)	Selenomethionine-labelled methylenetetrahydromethanopterin dehydrogenase (MTD) PDB-ID 1QV9
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.200	2.200
Rmerge	0.141	0.312
Number of reflections	190905
<I/σ(I)>	6.5	4.4
Completeness [%]	96.7	93.6
Redundancy	1.86	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	MOPS, KOH, MPD, PEG 400, Mg acetate, Na phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K