4OAN

Crystal structure of a TRAP periplasmic solute binding protein from rhodopseudomonas palustris HaA2 (RPB_2686), TARGET EFI-510221, with density modeled as (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate)

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	P 1
Unit cell lengths	55.064, 59.609, 61.005
Unit cell angles	62.62, 71.24, 67.18

Refinement procedure

Resolution	31.401 - 1.350
R-factor	0.1439
Rwork	0.143
R-free	0.16250
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.281
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX (AUTOSOLVE)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.334	50.729	1.420
High resolution limit [Å]	1.350	4.270	1.350
Rmerge	0.069	0.026	0.532
Total number of observations		14623	73193
Number of reflections	129995
<I/σ(I)>	11.8	25	1.4
Completeness [%]	94.6	93.4	92.6
Redundancy	3.9	3.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	6.9	298	Protein (29.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.2 M Sodium Thiocyanate pH 6.9, 20 %(w/v) PEG 3350); Cryoprotection (Reservoir with 20% Glycerol), sitting drop vapor diffusion, temperature 298K