4O8M

Crystal structure of a trap periplasmic solute binding protein actinobacillus succinogenes 130z, target EFI-510004, with bound L-galactonate

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)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	97.233, 143.593, 97.458
Unit cell angles	90.00, 99.49, 90.00

Refinement procedure

Resolution	31.204 - 1.700
R-factor	0.1908
Rwork	0.188
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ovt
RMSD bond length	0.011
RMSD bond angle	1.234
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX (AUTOMR)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	143.593	143.593	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.114	0.034	0.757
Total number of observations		33990	140641
Number of reflections	287096
<I/σ(I)>	8.7	17	1
Completeness [%]	99.5	98.8	98.9
Redundancy	3.6	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (39.2 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 1 mM L-Galactonate); Reservoir (2.0 M Ammonium Sulfate, 0.1 M Bis-Tris pH 6.5); Cryoprotection (80% Concentrated Lithium Sulfate, 20% Reservoir), VAPOR DIFFUSION, SITTING DROP, temperature 298K