2IIU

Crystal structure of a putative PhoU-like phosphate regulatory protein (NP_719307.1) from Shewanella oneidensis MR-1 at 2.28 A resolution.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918370, 0.979318, 0.979035
Spacegroup name	H 3 2
Unit cell lengths	99.880, 99.880, 397.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.458 - 2.280
R-factor	0.202
Rwork	0.200
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.509
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.730	47.500	2.050
High resolution limit [Å]	2.000	4.080	2.000
Rmerge	0.134	0.083	0.651
Number of reflections	52278
<I/σ(I)>	14.54	37.22	2.91
Completeness [%]	98.5	99.8	100
Redundancy	20.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6.5	277	1.0M NaCitrate, 0.1M Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K