6A6X

The crystal structure of the Mtb MazE-MazF-mt9 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	70.975, 70.975, 156.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.604 - 2.700
R-factor	0.2137
Rwork	0.211
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wyg
RMSD bond length	0.005
RMSD bond angle	0.794
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.209	0.922
Number of reflections	11645	1125
<I/σ(I)>	20.9	4.85
Completeness [%]	99.9	99.9
Redundancy	12.5	12
CC(1/2)		0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M MES (pH5.5) and 1.3-1.5 M ammonium sulfate