5L46

Crystal structure of human dimethylglycine-dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972
Spacegroup name	P 1 21 1
Unit cell lengths	83.377, 119.868, 86.466
Unit cell angles	90.00, 92.58, 90.00

Refinement procedure

Resolution	58.651 - 3.090
R-factor	0.1835
Rwork	0.179
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4paa
RMSD bond length	0.010
RMSD bond angle	1.373
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.651	3.200
High resolution limit [Å]	3.090	3.090
Rmerge	0.206	0.657
Number of reflections	30495
<I/σ(I)>	4.81	1.53
Completeness [%]	97.7	93.81
Redundancy	2.8	2.7
CC(1/2)	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293.15	10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M of each amino acid and 0.1 M MOPS/HEPES-Na pH 7.5