4Y5R

Crystal Structure of a T67A MauG/pre-Methylamine Dehydrogenase Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-10-23
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.003
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	29.610 - 2.800
R-factor	0.1964
Rwork	0.193
R-free	0.25640
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3l4m
RMSD bond length	0.011
RMSD bond angle	1.707
Data scaling software	Aimless (0.3.11)
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.610	29.610	2.660
High resolution limit [Å]	2.580	10.620	2.580
Rmerge	0.111	0.021	0.639
Rpim	0.111	0.021	0.639
Total number of observations	98206	1379	5629
Number of reflections	51683
<I/σ(I)>	5.2	11.6	1.2
Completeness [%]	95.2	93.6	66
Redundancy	1.9	1.9	1.8
CC(1/2)	0.902	0.997	0.437

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	292	25-30% PEG 8000, 0,1 M sodium Acetate, 0.1 M MES pH 6.4