3N5L

Crystal structure of a binding protein component of ABC phosphonate transporter (PA3383) from Pseudomonas aeruginosa at 1.97 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97936
Spacegroup name	P 32 2 1
Unit cell lengths	98.890, 98.890, 170.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.445 - 1.970
R-factor	0.16
Rwork	0.158
R-free	0.19100
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.445	49.445	2.050
High resolution limit [Å]	1.970	4.400	1.970
Rmerge	0.131	0.046	0.966
Number of reflections	68965	6513	7646
<I/σ(I)>	12.37	35.2	2.1
Completeness [%]	100.0	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	2.000000000M (NH4)2SO4, 0.200000000M Li2SO4, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K