3TZX

Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in tetragonal apo form at 2.3 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-16
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	P 41 21 2
Unit cell lengths	106.560, 106.560, 258.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.120 - 2.300
R-factor	0.20319
Rwork	0.200
R-free	0.26047
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 2HG4
RMSD bond length	0.019
RMSD bond angle	2.068
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.700	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	65097
<I/σ(I)>		2.3
Completeness [%]	96.9	83.4
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285	0.1M HEPES, 1.7m ammonium sulfate, 15% glycerol, 1.7% PEG-400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K