5IAI

Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol

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	2015-03-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	166.272, 56.342, 52.095
Unit cell angles	90.00, 93.89, 90.00

Refinement procedure

Resolution	26.674 - 1.600
R-factor	0.1647
Rwork	0.163
R-free	0.19070
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	MOSFLM
Data scaling software	Aimless (0.2.8)
Phasing software	BUCCANEER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.940	82.940	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.091	0.072	0.926
Rmeas	0.098	0.079	0.995
Rpim	0.036	0.032	0.363
Total number of observations	470882	2293	23278
Number of reflections	63514
<I/σ(I)>	15.1	35.6	2.2
Completeness [%]	99.9	90.9	100
Redundancy	7.4	6.1	7.4
CC(1/2)	0.998	0.990	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	Protein (10 mM HEPES pH 7.5, 5 mM DTT, 10 mM Ribitol); Reservoir (MCSG1 H7)(2.0 M Ammonium Sulfate, 0.1 M Bis-Tris pH 5.5); Cryoprotection (80% 2.5 LiSO4, 20% Reservoir)