3ORV

Crystal Structure of the Y294H-MauG/pre-Methylamine Dehydrogenase Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-14
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 1
Unit cell lengths	55.527, 83.524, 107.782
Unit cell angles	109.94, 91.54, 105.78

Refinement procedure

Resolution	44.490 - 1.910
R-factor	0.141
Rwork	0.139
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4m
RMSD bond length	0.025
RMSD bond angle	2.078
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0072)
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.910	1.910
Number of reflections	126251
<I/σ(I)>	13.6	2
Completeness [%]	95.6	70.6
Redundancy	3.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.4	293	Drops contained 1uL protein with 2uL reservoir solution. Protein solution: 100uM Y294H-MauG and 50uM preMADH in 10mM potassium phosphate pH 7.5. Reservoir solution contained: 24-26 % w/v PEG 8000, 0.1 M sodium acetate, 0.1 M MES pH 6.4., VAPOR DIFFUSION, HANGING DROP, temperature 293K