6ZNK

MaeB PTA domain N718D mutant

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	2018-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	139.607, 150.807, 282.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.784 - 3.039
R-factor	0.206
Rwork	0.204
R-free	0.25280
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]	102.460	3.100
High resolution limit [Å]	3.039	3.040
Number of reflections	115105	8421
<I/σ(I)>	10.5	1.14
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.990	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	289	0.1M Hepes pH 7.0 20% PEG 8000