6ZNT

MaeB PTA domain, acetyl-CoA bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	111.190, 60.590, 167.750
Unit cell angles	90.00, 91.09, 90.00

Refinement procedure

Resolution	91.861 - 1.960
R-factor	0.1781
Rwork	0.176
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1td9
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.861	2.010
High resolution limit [Å]	1.960	1.960
Number of reflections	160802	7925
<I/σ(I)>	15.7	1.14
Completeness [%]	99.9
Redundancy	6.74
CC(1/2)	0.990	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	0.1M Tris pH 8.5 0.2M TMAO 20% PEG 2000 MME