7AHB

Acyltransferase domain of the polyketide synthase PpsC of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.933400
Spacegroup name	P 1
Unit cell lengths	51.374, 58.355, 65.857
Unit cell angles	65.84, 73.28, 71.02

Refinement procedure

Resolution	48.120 - 1.900
R-factor	0.189
Rwork	0.188
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qo3
RMSD bond length	0.009
RMSD bond angle	0.801
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	49339	4913
<I/σ(I)>	13.7
Completeness [%]	96.4
Redundancy	2.1
CC(1/2)	0.998	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	1.8 M ammonium sulfate, 0.2 M sodium thiocyanate, 0.1M Tris pH 8