4NG7

Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure

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	2013-08-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	93.503, 93.503, 140.175
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.488 - 2.300
R-factor	0.2087
Rwork	0.206
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n8y
RMSD bond length	0.008
RMSD bond angle	1.129
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.976	40.488	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.140	0.059	0.948
Total number of observations		7008	34063
Number of reflections	16734
<I/σ(I)>	13.9	9.3	0.8
Completeness [%]	99.9	97.8	99.9
Redundancy	14	11.5	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	37.4 mg/mL protein in 10 mM HEPES, pH 7.5, 5 mM DTT, 1 mM D-arabinoate, reservoir: 0.1 M Bis-Tris propane, pH 7, 60% v/v tacsimate, cryoprotection: 4:1 reservoir:glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K