5C5Z

Crystal structure analysis of c4763, a uropathogenic E. coli-specific protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-12-11
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97883, 0.97923, 0.96000
Spacegroup name	P 21 21 21
Unit cell lengths	57.628, 66.364, 69.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.721 - 1.450
R-factor	0.1887
Rwork	0.188
R-free	0.20460
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1)
Refinement software	PHENIX (1.8.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.078	0.050	0.446
Total number of observations	697928
Number of reflections	48241
<I/σ(I)>	14.3
Completeness [%]	99.9	99.5	100
Redundancy	14.5	13.8	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.2	295	PEG 400, NaCl