6D8J

Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	51.972, 51.972, 74.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.276 - 1.630
R-factor	0.1649
Rwork	0.163
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d8i
RMSD bond length	0.006
RMSD bond angle	0.761
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.630	4.420	1.630
Rmerge	0.079	0.037	0.546
Rmeas	0.083	0.040	0.578
Rpim	0.026	0.013	0.183
Total number of observations	122439
Number of reflections	12933	695	630
<I/σ(I)>	7.2
Completeness [%]	96.7	89.2	98.4
Redundancy	9.5	9	9.5
CC(1/2)		0.998	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.2 M calcium acetate, 0.1 M sodium cacodylate, pH 6.5, 18-24% PEG8000