5ER3

Crystal structure of ABC transporter system solute-binding protein from Rhodopirellula baltica SH 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97899
Spacegroup name	P 21 21 2
Unit cell lengths	74.755, 95.576, 46.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.810 - 2.105
R-factor	0.178
Rwork	0.176
R-free	0.20760
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.678
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.153	0.082	0.584
Rmeas	0.163	0.089	0.634
Rpim	0.057	0.032	0.238
Total number of observations	163470
Number of reflections	19830
<I/σ(I)>	6.2
Completeness [%]	99.7	99.3	96.3
Redundancy	8.2	7.8	6.6
CC(1/2)		0.991	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	297	Calcium Chloride, HEPES, PEG4000