4YS6

CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE

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 65 2 2
Unit cell lengths	80.686, 80.686, 170.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.938 - 1.698
R-factor	0.1504
Rwork	0.149
R-free	0.18250
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.254
Data reduction software	HKL-3000
Data scaling software	Aimless (0.5.1)
Phasing software	SHELX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	32.860	1.730
High resolution limit [Å]	1.698	7.120	1.690
Rmerge	0.102	0.229	0.000
Rpim	0.033	0.041
Total number of observations	2098044	21097	6547
Number of reflections	36742
<I/σ(I)>	20.3	25.5	2.4
Completeness [%]	99.8	98.7	99.4
Redundancy	11.7	34.2	11
CC(1/2)	0.010	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (10 mM HEPES pH 7.5, 5 mM DTT, 5 mM D-glucose); Reservoir (MCSG2 B1)(1.1 M Sodium Malonate pH 7.0, 0.1 M HEPES pH 7.0, 0.5 %(v/v) Jeffamine ED-2001 pH 7.0); Cryoprotection (100% Reservoir, dehydration)