6ZNE

MaeB PTA domain R535E mutant

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	2017-12-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91587
Spacegroup name	C 1 2 1
Unit cell lengths	129.420, 183.400, 120.237
Unit cell angles	90.00, 117.03, 90.00

Refinement procedure

Resolution	69.657 - 2.393
R-factor	0.2175
Rwork	0.215
R-free	0.26020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1td9
RMSD bond length	0.010
RMSD bond angle	1.415
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.603	2.500
High resolution limit [Å]	2.390	2.390
Number of reflections	96539	4863
<I/σ(I)>	8.5
Completeness [%]	98.4
Redundancy	4.6
CC(1/2)	0.990	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	0.1M Hepes pH 7.5 0.1M Magnesium Chloride 10% PEG 400 15% PEG smear medium 5% propan-2-ol