4PFI

Crystal structure of a tRAP periplasmic solute binding protein from marinobacter aquaeolei VT8 (Maqu_2829, TARGET EFI-510133), 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	2014-02-24
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 61 2 2
Unit cell lengths	85.841, 85.841, 170.015
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.336 - 2.302
R-factor	0.1879
Rwork	0.186
R-free	0.23230
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.139
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.146	0.073
Total number of observations	711896
Number of reflections	17145
<I/σ(I)>	7.1
Completeness [%]	99.7	95.7	100
Redundancy	41.5	34.5	41.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (55.0 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (3.5 M Sodium Format pH 7.0); Cryoprotection (80% 7M Sodium Formate + 20% Reservoir)