6ZNG

MaeB full-length acetyl-CoA bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97628
Spacegroup name	C 1 2 1
Unit cell lengths	250.422, 144.792, 171.138
Unit cell angles	90.00, 100.61, 90.00

Refinement procedure

Resolution	109.382 - 2.720
Rwork	0.190
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cee 1td9
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.801	2.860
High resolution limit [Å]	2.720	2.720
Number of reflections	160818	8003
<I/σ(I)>	11
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.990	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	0.1M Bistris Propane pH 8.5 0.2M sodium citrate tribasic monohydrate 20% PEG 3350