3OL4

Crystal structure of a putative uncharacterized protein from Mycobacterium smegmatis, an ortholog of Rv0543c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	71.210, 72.690, 45.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.204
Rwork	0.202
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ol3
RMSD bond length	0.015
RMSD bond angle	1.237
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	8.940	2.050
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.048	0.019	0.285
Number of reflections	16088	362	1041
<I/σ(I)>	19.25	50.4	3.3
Completeness [%]	98.0	96.8	86.5
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	52.57 mg/mL MysmA,17112.a.A1 PS00688 against PACT screen condition F12, 0.2 M sodium malonate, 0.1 M BisTris Propane pH 6.5, 20% PEG 3350 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 217010f12, VAPOR DIFFUSION, SITTING DROP, temperature 289K