4N8Y

Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate

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	2013-10-09
Detector	RAYONIX MX225HE
Wavelength(s)	0.971
Spacegroup name	P 21 21 21
Unit cell lengths	78.798, 85.705, 86.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.087 - 1.500
R-factor	0.1452
Rwork	0.144
R-free	0.17510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n17
RMSD bond length	0.009
RMSD bond angle	1.215
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.246	85.705	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.057	0.020	0.523
Total number of observations		21173	93789
Number of reflections	90134
<I/σ(I)>	22.7	29.9	1.5
Completeness [%]	96.1	95.8	94.4
Redundancy	7.5	6.9	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (56.1 mg/ml, 10 mM HEPES, 5 mM DTT, 10 mM D-Galacturonate); Reservoir (0.1 M HEPES, 25 %(w/v) PEG 3350); Cryoprotection (20% Reservoir, 80% PEG3350 (50% w/v)), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K