5DTE

Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose

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	2015-08-15
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	62.190, 63.218, 71.201
Unit cell angles	101.13, 103.29, 91.35

Refinement procedure

Resolution	33.147 - 2.700
R-factor	0.1698
Rwork	0.164
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ioy
RMSD bond length	0.009
RMSD bond angle	1.196
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.000	42.000	2.330
High resolution limit [Å]	2.290	6.210	2.290
Rmerge	0.114	0.060
Rmeas	0.133	0.071
Rpim	0.072	0.037	0.821
Total number of observations	98224
Number of reflections	28967
<I/σ(I)>	7.5
Completeness [%]	63.1	98.6	9.2
Redundancy	3.4	3.6	2.4
CC(1/2)		0.992	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (10 mM D-allose, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (1.0 M Lithium chloride, 0.1 M sodium citrate:HCl pH 4.0, 20% (w/v) PEG 6000); Cryoprotection (20% Ethylene glycol, 80% Reservoir)