3RLM

Structure of the W199F MauG/pre-Methylamine Dehydrogenase complex after treatment with hydrogen peroxide

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	2010-06-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03322
Spacegroup name	P 1
Unit cell lengths	55.530, 83.520, 107.780
Unit cell angles	109.94, 91.54, 105.78

Refinement procedure

Resolution	44.490 - 2.130
R-factor	0.18406
Rwork	0.181
R-free	0.23679
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.542
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	2.170
High resolution limit [Å]	2.130	2.130
Rmerge	0.071	0.347
Number of reflections	95544
<I/σ(I)>	10.325	2.111
Completeness [%]	94.6	82.9
Redundancy	1.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	0.1M MES, 0.1M sodium acetate, 23-25% w/v PEG 8000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K