4N6K

Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638, Target EFI-510113 (Desal_0342), complex with diglycerolphosphate

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	2013-10-09
Detector	RAYONIX MX225HE
Wavelength(s)	0.971
Spacegroup name	C 1 2 1
Unit cell lengths	83.024, 54.182, 73.508
Unit cell angles	90.00, 104.98, 90.00

Refinement procedure

Resolution	22.313 - 1.200
R-factor	0.1397
Rwork	0.138
R-free	0.16190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LOCALLY COLLECTED DERIVATIVE
RMSD bond length	0.007
RMSD bond angle	1.166
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.010	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.077	0.553
Number of reflections	95981
<I/σ(I)>		1.9
Completeness [%]	97.6	93.7
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	55.8 mg/mL protein in 10 mM HEPES, pH 7.5, 5 mM DTT, reservoir: 0.17 M ammonium acetate, 0.085 M sodium acetate, pH 4.6, 25.5% w/v PEG4000, 15% v/v glycerol, cryoprotection: reservoir + 10% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K