4IRX

Crystal structure of Caulobacter myo-inositol binding protein bound to myo-inositol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	83.121, 34.958, 181.830
Unit cell angles	90.00, 102.60, 90.00

Refinement procedure

Resolution	19.900 - 1.451
R-factor	0.1659
Rwork	0.165
R-free	0.18940
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.316
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	19.900
High resolution limit [Å]	1.450
Rmerge	0.080
Number of reflections	77441
<I/σ(I)>	14.8
Completeness [%]	99.0
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	292	75 mN HEPES pH7.4, PEG3350 25%, 5 mM myo-inositol, VAPOR DIFFUSION, HANGING DROP, temperature 292K