5WJP

Crystal structure of the cyclohexadienyl dehydratase-like solute-binding protein SAR11_1068 from Candidatus Pelagibacter ubique.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	38.730, 65.870, 90.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.430 - 1.570
R-factor	0.184
Rwork	0.183
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kbr
RMSD bond length	0.023
RMSD bond angle	2.111
Data reduction software	MOSFLM (7.0.9)
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.430	1.590
High resolution limit [Å]	1.570	1.570
Rmerge	0.129	1.678
Number of reflections	32445
<I/σ(I)>	12.7	1.9
Completeness [%]	97.3	96.6
Redundancy	11.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	1.5 uL 18 mg/mL protein (10 mM TRIS pH 8.0, 100 mM NaCl, 10% glycerol) + 1.5 uL 24% PEG 8000, 5% PEG 400, 0.1 M BIS-TRIS propane pH 9.0.