7AKC

Structure of the of AcylTransferase domain of phenolphthiocerol/phtiocerol synthase A from Mycobacterium bovis (BCG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98011
Spacegroup name	P 42 21 2
Unit cell lengths	94.029, 94.029, 73.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.010 - 1.600
R-factor	0.2457
Rwork	0.244
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tsw
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.010	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	1.092
Rmeas	0.041	1.134
Number of reflections	43463	6973
<I/σ(I)>	31	2.61
Completeness [%]	98.6	99.7
Redundancy	14.2	14.4
CC(1/2)	1.000	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	19% (w/v) PEG 5,000 MME 0.1 M MES