4MAL

TPR3 of FimV from P. aeruginosa (PAO1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	42.325, 42.325, 139.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.501 - 2.050
R-factor	0.2178
Rwork	0.215
R-free	0.24240
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.042
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((AutoSol))
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	8648
<I/σ(I)>	33.9	6.2
Completeness [%]	99.9	99.3
Redundancy	14.2	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	277	1.6 M ammonium phosphate, 0.6 M potassium phosphate, 0.1 M phosphate citrate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K