5CM6

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE

Replaces:  4X26

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	2015-06-26
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 43 21 2
Unit cell lengths	83.345, 83.345, 198.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.966 - 1.830
R-factor	0.1872
Rwork	0.184
R-free	0.24320
RMSD bond length	0.012
RMSD bond angle	1.329
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.860
High resolution limit [Å]	1.830	4.940	1.830
Rmerge	0.100	0.040
Rmeas	0.103	0.041
Rpim	0.028	0.011
Total number of observations	898089
Number of reflections	62371
<I/σ(I)>	6.1
Completeness [%]	99.8	98.5	97.9
Redundancy	14.4	13.4	12.3
CC(1/2)		0.999	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	Protein (40.2 mg/ml, 20 mM TRIS pH 8.0, 5 mM DTT, 150 mM NaCl, 5% Glycerol, 10 mM Pyruvate, 1 mM CaCl2); Reservoir (0.2 M Ammonium fluoride, 20 %(w/v) PEG 3350); Cryoprotection (80% Reservoir,20% ethylene glycol)