6D8I

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	51.646, 51.646, 75.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.556 - 1.650
R-factor	0.1657
Rwork	0.164
R-free	0.17970
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13rc1_2954)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.133	0.092	0.725
Rmeas	0.138	0.096	0.751
Rpim	0.036	0.026	0.198
Total number of observations	181018
Number of reflections	12903	757	626
<I/σ(I)>	5.4
Completeness [%]	100.0	100	100
Redundancy	14	12.2	14.1
CC(1/2)		0.998	0.894

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, 18-24% PEG8000