3SVK

Crystal structure of Acetyl-CoA acetyltransferase from Mycobacterium avium

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	2011-05-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9774
Spacegroup name	P 2 21 21
Unit cell lengths	54.310, 98.330, 151.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.541 - 2.200
R-factor	0.242
Rwork	0.240
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3goa
RMSD bond length	0.013
RMSD bond angle	1.450
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]	47.541		2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.063	0.027	0.342
Number of reflections	40680	895	5090
<I/σ(I)>	10.53	27.9	3.3
Completeness [%]	97.4	98.4	86.3
Redundancy	3.1		2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Internal tracking number 220558g1. PACT G1. 0.2 M sodium fluoride, 0.1 M Bis Tris propane, pH 7.5, 20% PEG3350. MyavA.00781.a.A1 PW28926 at 28 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K