3RMZ

Crystal Structure of the W199F-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	2010-03-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03315
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	39.580 - 1.720
R-factor	0.14057
Rwork	0.138
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4m
RMSD bond length	0.027
RMSD bond angle	2.308
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.770
High resolution limit [Å]	1.720	1.720
Number of reflections	173890
<I/σ(I)>	18.3	2.8
Completeness [%]	96.4	82.7
Redundancy	3.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Drops contained 1uL protein with 3uL reservoir solution. Protein solution: 100uM W199F-MauG and 50uM preMADH in 10mM potassium phosphate, pH 7.5. Reservoir solution contained: 22% w/v PEG 8000, 0.1M sodium acetate, 0.1M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K