7AGP

Structure of the AcylTransferase domain of Mycocerosic Acid Synthase from 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	2011-09-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	C 2 2 21
Unit cell lengths	146.028, 157.140, 114.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.400
R-factor	0.1976
Rwork	0.197
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tzw
RMSD bond length	0.011
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS (Jan 31, 2020)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	2.540
High resolution limit [Å]	2.400	2.400
Rmerge	0.042	0.845
Rmeas	0.050	0.998
Number of reflections	51153	8121
<I/σ(I)>	15.77	1.43
Completeness [%]	99.1	98.4
Redundancy	3.54	3.48
CC(1/2)	0.999	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	1.1 M sodium succinate 0.1 M sodium acetate buffer