4MIJ

Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21

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	2013-07-23
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	45.534, 46.140, 63.897
Unit cell angles	90.00, 97.56, 90.00

Refinement procedure

Resolution	34.665 - 1.100
R-factor	0.1387
Rwork	0.138
R-free	0.15160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ln5
RMSD bond length	0.008
RMSD bond angle	1.287
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.341	34.665	1.160
High resolution limit [Å]	1.100	3.480	1.100
Rmerge	0.061	0.033	0.299
Total number of observations		12643	36527
Number of reflections	104054
<I/σ(I)>	9.6	16.4	2.2
Completeness [%]	97.6	99.2	84
Redundancy	3.6	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Protein (50 mg/ml, 10 mM Hepes, pH 7.5, 10 mM Galacturonate, 5 mM DTT); Reservoir (0.8 M Lithium Chloride, 0.1 M Tris, pH 8.5, 32 %(w/v) PEG 4000, (MCSG1 C9)); Cryoprotection (20% Ethylene Glycol, 80% of Reservoir), VAPOR DIFFUSION, SITTING DROP, temperature 293K