6ZNU

MaeB PTA domain E544R mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	129.090, 182.850, 119.660
Unit cell angles	90.00, 117.69, 90.00

Refinement procedure

Resolution	56.863 - 2.330
R-factor	0.1981
Rwork	0.196
R-free	0.23570
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]	69.220	2.500
High resolution limit [Å]	2.330	2.330
Number of reflections	104231	5084
<I/σ(I)>	12.03	1.14
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.990	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	0.1M Hepes pH 7.5 0.2M Magnesium Chloride 10% ethylene glycol 15% peg smear medium 5% propan-2-ol