3SF6

Crystal structure of Glutaryl-CoA dehydrogenase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-28
Detector	ADSC QUANTUM 315
Spacegroup name	I 41 2 2
Unit cell lengths	130.000, 130.000, 101.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.573 - 1.700
R-factor	0.13
Rwork	0.128
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eba
RMSD bond length	0.016
RMSD bond angle	1.551
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.573		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.089	0.019	0.499
Number of reflections	48008	617	3470
<I/σ(I)>	30.76	101.3	6.1
Completeness [%]	100.0	99.2	100
Redundancy	16.5		15.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290	Internal tracking number 221475C11. JCSG C11. 2 M ammonium sulfate, 0.1 M acetate, pH 4.6, MysmA.01640.c.A1 PS01045 at 45 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 290K