4PEV

Crystal structure of ABC transporter system solute-binding proteins from Aeropyrum pernix K1

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	2013-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97907
Spacegroup name	P 21 21 21
Unit cell lengths	70.979, 109.601, 180.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.770 - 2.580
R-factor	0.1773
Rwork	0.175
R-free	0.22850
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.310
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.580	7.050	2.600
Rmerge	0.195	0.039
Total number of observations	239835
Number of reflections	44392
<I/σ(I)>	4.1
Completeness [%]	99.2	99.5	92.5
Redundancy	5.4	5.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	297	0.1M phosphate-citrate 1.6M Sodium phospahte/0.4M potassium phosphate