4UAB

Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine

Replaces:  4N5W

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	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	122.606, 51.117, 112.054
Unit cell angles	90.00, 116.27, 90.00

Refinement procedure

Resolution	31.284 - 1.400
R-factor	0.1835
Rwork	0.182
R-free	0.20600
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.225
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.485	60.890	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.040	0.712
Rmeas	0.093
Rpim	0.036	0.023	0.353
Total number of observations	748645	24974	87367
Number of reflections	119470
<I/σ(I)>	13	34.4	2
Completeness [%]	97.4	94.1	93.4
Redundancy	6.3	6.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (29.1 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.1 M Magnesium Chloride 0.1 M MES pH 6.5 30 %(w/v) PEG 400); Cryoprotection (Reservoir)