4YV7

CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	99.246, 110.626, 35.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.337 - 2.300
R-factor	0.1796
Rwork	0.177
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ioy
RMSD bond length	0.014
RMSD bond angle	1.322
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.080	0.058	0.425
Rmeas	0.094	0.070	0.504
Rpim	0.049	0.037	0.265
Total number of observations	51448
Number of reflections	16739
<I/σ(I)>	8.4
Completeness [%]	90.7	92.3	87.5
Redundancy	3.1	2.9	3.1
CC(1/2)		0.974	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Ribose); Reservoir (MCSG2 G2)(0.1 M Tris pH 8.5, 2.4 M di-Ammonium Phosphate); Cryoprotection (20% Glycerol, 80% Reservoir)