6G80

Structure of Mycobacterium hassiacum MeT1 from orthorhombic crystals.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9724
Spacegroup name	C 2 2 21
Unit cell lengths	117.150, 119.720, 145.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.160 - 2.050
R-factor	0.1943
Rwork	0.192
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	2.070
High resolution limit [Å]	2.050	2.050
Rmeas	0.061	1.513
Number of reflections	63196
<I/σ(I)>	17.05
Completeness [%]	98.7
Redundancy	6.5
CC(1/2)	0.999	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.04 M potassium phosphate monobasic, 16% (wt/vol) PEG 8000, 20% (vol/vol) glycerol.