6ACA

Crystal structure of Mycobacterium tuberculosis Mfd at 3.6 A resolution

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	2015-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 4 3 2
Unit cell lengths	224.259, 224.259, 224.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 3.600
R-factor	0.2518
Rwork	0.249
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ac8
RMSD bond length	0.002
RMSD bond angle	0.567
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.640	3.890
High resolution limit [Å]	3.600	3.600
Rmerge	0.143	1.006
Rmeas	0.159	1.141
Rpim	0.052	0.382
Number of reflections	22846	4588
<I/σ(I)>	8.7	2.2
Completeness [%]	99.6	99.3
Redundancy	8.7	8.7
CC(1/2)	0.998	0.381

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	100mM HEPES Sodium pH 7.0, 800mM Ammonium Formate, 20% PEG3350, 7.5mM MgCl2.6H2O