6AC6

Ab initio crystal structure of Selenomethionine labelled Mycobacterium smegmatis Mfd

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979029, 0.979183, 0.972425
Spacegroup name	P 21 21 21
Unit cell lengths	82.710, 158.870, 207.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.188 - 2.989
R-factor	0.2207
Rwork	0.218
R-free	0.26970
Structure solution method	MAD
RMSD bond length	0.003
RMSD bond angle	0.576
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CRANK2
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.190	3.100
High resolution limit [Å]	2.990	2.990
Rmerge	0.132	1.137
Rmeas	0.137	1.181
Rpim	0.037	0.313
Number of reflections	55718	5129
<I/σ(I)>	14.4
Completeness [%]	99.0	92.43
Redundancy	13.7	13.64
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	295	100mM HEPES sodium pH 7.2, 0.2M Na2So4, 20% PEG3350