4YO7

Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol

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	2015-02-24
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	68.155, 79.845, 118.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.539 - 1.700
R-factor	0.1402
Rwork	0.139
R-free	0.16930
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.218
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.065	0.029	0.745
Rmeas	0.068	0.030	0.787
Rpim	0.021	0.009	0.248
Total number of observations	369580
Number of reflections	35728
<I/σ(I)>	10.6
Completeness [%]	98.7	97.8	97.9
Redundancy	10.3	10.4	9.7
CC(1/2)		0.997	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (10 mM HEPES pH 7.5, 5 mM DTT, 10 mM myo-inositol); Reservoir (0.2 M Magnisium chloride, 0.1M Sodium cacodylate, pH 6.50, 50%(w/v) PEG 200); Cryoprotection 100% Reservoir