3P4I

Crystal structure of acetate kinase from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	85.640, 101.710, 105.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.1847
Rwork	0.182
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tuy
RMSD bond length	0.016
RMSD bond angle	1.472
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.098	0.037	0.531
Number of reflections	39051	488	2840
<I/σ(I)>	12.15	29.3	3.4
Completeness [%]	99.7	96.6	100
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	protein at 23.4 mg/mL, 10 % PEG 8000, 0.1 M Tris pH 7.0, 0.1 M MgCl2 with 25% ethylene glycol as cryo-protectant, crsytal tracking ID 216702h7, VAPOR DIFFUSION, SITTING DROP, temperature 289K