5I5P

Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.547
Spacegroup name	P 1 21 1
Unit cell lengths	46.305, 82.492, 76.577
Unit cell angles	90.00, 98.59, 90.00

Refinement procedure

Resolution	36.221 - 1.600
R-factor	0.1461
Rwork	0.144
R-free	0.18090
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5i7i
RMSD bond length	0.011
RMSD bond angle	1.116
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.630
High resolution limit [Å]	1.599	4.340	1.600
Rmerge	0.084	0.075	0.333
Number of reflections	70021
<I/σ(I)>	14.2
Completeness [%]	93.2	99.8	83.4
Redundancy	7.4	12.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5		0.15 M potassium Bromide, 30 %(w/v) PEG MME 2000