2QTZ

Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 1 21 1
Unit cell lengths	51.784, 67.235, 78.615
Unit cell angles	90.00, 106.91, 90.00

Refinement procedure

Resolution	19.940 - 1.900
R-factor	0.17663
Rwork	0.175
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.493
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	30.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.052	0.038	0.304
Number of reflections	40436
<I/σ(I)>	13
Completeness [%]	98.4	99.3	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	0.1M Tris HCl, 0.2M KBr, 15% PEG 4000, crystals soaked in saturating levels of NADP+, pH 7.5, vapor diffusion, temperature 277K