4OVP

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE

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	2013-11-26
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	127.481, 82.345, 106.829
Unit cell angles	90.00, 140.07, 90.00

Refinement procedure

Resolution	33.872 - 1.700
R-factor	0.1507
Rwork	0.149
R-free	0.18000
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.252
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.563	68.563	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.028	0.914
Rmeas	0.095	0.071	1.070
Rpim	0.035	0.026	0.387
Total number of observations	581416	16268	84424
Number of reflections	77299
<I/σ(I)>	17.4	49	2.1
Completeness [%]	99.3	93.2	98.9
Redundancy	7.5	6.9	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (32.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 1 mM D-Manuronate); Reservoir (0.1 M Tris Hydrochloride pH 8.5, 1.2 M tri-Sodium Citrate Dihydrate); Cryoprotection (Slow mount, resulting in concentration of mother liquor prior to freezing)