4TMD

X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-16
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54
Spacegroup name	P 2 2 21
Unit cell lengths	32.980, 37.830, 151.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.907 - 2.000
R-factor	0.1894
Rwork	0.188
R-free	0.21590
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	XDS
Phasing software	SHELX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.910	8.940	2.050
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.053	0.025	0.296
Rmeas	0.054	0.025	0.306
Total number of observations	695979
Number of reflections	24800	497	1815
<I/σ(I)>	56.03	140.09	10.52
Completeness [%]	100.0	99.8	99.9
Redundancy	28.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	24 % w/v PEG 1500/ 20 % v/v Glycerol