3R3R

Structure of the YrdA ferripyochelin binding protein from Salmonella enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	110
Detector technology	CCD
Collection date	2010-12-16
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3
Unit cell lengths	99.430, 99.430, 46.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.640 - 1.200
R-factor	0.139
Rwork	0.138
R-free	0.16000
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.340
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.240
High resolution limit [Å]	1.200	2.590	1.200
Rmerge	0.074	0.060	0.583
Number of reflections	53413
<I/σ(I)>	36.6	46.8	2.8
Completeness [%]	99.0	99.9	92.1
Redundancy	17.4	19.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	HANGING DROP	7	298	700 mM sodium citrate, 10 mM magnesium chloride, 50 mM HEPES, HANGING DROP, temperature 298K