1UUN

Main porin from Mycobacterium smegmatis (MspA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Spacegroup name	I 4 2 2
Unit cell lengths	113.860, 113.860, 229.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 * - 2.500
R-factor	0.22729
Rwork	0.226
R-free	0.24900 *
Structure solution method	MAD
RMSD bond length	0.015 *
RMSD bond angle	1.600 *
Data reduction software	XDS
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.500	2.500
Rmerge	0.085 *	0.310 *
Number of reflections	25527
<I/σ(I)>	18.6	6.3
Completeness [%]	98.0	89
Redundancy	7.1	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6	6 *	PROTEIN WAS CRYSTALLIZED FROM: 0.1M SODIUM CITRATE PH 5.6, 0.1M LITHIUM SULFATE, 12% PEG4000, DETERGENTS WERE ADDED

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium citrate	60 (mM)	pH5.6
2	1	drop		60 (mM)
3	1	drop	PEG4000	7 (%(w/v))
4	1	drop		0.2 (%(w/v))
5	1	drop	C-HEGA-10	35 (mM)
6	1	drop	MspA	6 (mg/ml)
7	1	reservoir	sodium citrate	0.1 (M)	pH5.6
8	1	reservoir		0.1 (M)
9	1	reservoir	PEG4000	12 (%(w/v))