6ZNR

MaeB PTA domain R535A 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	129.240, 183.116, 119.527
Unit cell angles	90.00, 117.08, 90.00

Refinement procedure

Resolution	69.407 - 2.217
R-factor	0.1908
Rwork	0.189
R-free	0.23080
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]	69.407	2.500
High resolution limit [Å]	2.217	2.350
Number of reflections	119552	5235
<I/σ(I)>	10.69	1.16
Completeness [%]	99.9
Redundancy	6.81
CC(1/2)	0.990	0.570

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