5I0X

COPPER-BOUND M90I VARIANT OF UROPATHOGENIC ESCHERICHIA COLI STRAIN F11 FETP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	49.155, 51.612, 66.136
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	66.030 - 1.500
R-factor	0.178
Rwork	0.176
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nrq
RMSD bond length	0.009
RMSD bond angle	1.341
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.030	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.058	0.362
Number of reflections	52557
<I/σ(I)>	12.7
Completeness [%]	99.4	96.8
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.15M FORMATE, 16% PEG 3350
1	VAPOR DIFFUSION, SITTING DROP		295	0.15M FORMATE, 16% PEG 3350