5HK3

Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	47.311, 64.244, 73.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.526 - 1.560
R-factor	0.1926
Rwork	0.192
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MazF-mt3
RMSD bond length	0.006
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.590
High resolution limit [Å]	1.560	4.230	1.560
Rmerge	0.089	0.078	0.407
Rmeas	0.107	0.097	0.503
Rpim	0.059	0.057	0.290
Total number of observations	105841
Number of reflections	32174
<I/σ(I)>	14.8
Completeness [%]	98.2	83.5	87.7
Redundancy	3.3	2.6	2.6
CC(1/2)		0.982	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Bis-Tris 0.1 M Ammonium acetate 17% PEG 10000