4O7M

Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate

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	2013-11-08
Detector	RAYONIX 225 HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	80.515, 118.640, 89.901
Unit cell angles	90.00, 93.18, 90.00

Refinement procedure

Resolution	22.603 - 1.500
R-factor	0.1391
Rwork	0.138
R-free	0.15750
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.221
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX (AUTOSOLVE)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	118.640	22.603	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.121	0.055	0.601
Total number of observations		65502	288028
Number of reflections	268529
<I/σ(I)>	10.5	9.9	1.3
Completeness [%]	100.0	99	100
Redundancy	7.6	7.6	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (34.4 mg/ml, 10 mM HEPES, 5 mM DTT, 10 mM L-Malate); Reservoir (0.2 M Sodium Citrate, 20% (w/v) PEG 3350); Cryoprotection (Reservoir with 20% Diethylene Glycol), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K