4NX1

Crystal structure of a trap periplasmic solute binding protein from Sulfitobacter sp. nas-14.1, target EFI-510292, with bound alpha-D-taluronate

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	2013-11-20
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	127.523, 82.425, 106.815
Unit cell angles	90.00, 140.06, 90.00

Refinement procedure

Resolution	27.159 - 1.600
R-factor	0.1537
Rwork	0.152
R-free	0.17690
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.289
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (AUTSOLVE)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.550	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.089	0.811
Number of reflections	93292
<I/σ(I)>	11.8	2.2
Completeness [%]	99.8	99.7
Redundancy	7.4	7

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-Taluronate); Reservoir (0.1 M Tris Hydrochloride pH 8.5, 1.2 M tri-Sodium Citrate Dihydrate); Cryoprotection (1.6 M Na3Citrate), VAPOR DIFFUSION, SITTING DROP, temperature 298K