1Q35

Crystal Structure of Pasteurella haemolytica Apo Ferric ion-Binding Protein A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-18
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	97.159, 189.327, 45.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.300 * - 1.200
R-factor	0.1721
Rwork	0.171
R-free	0.19500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.094
Data reduction software	HKL-2000
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.000 *	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.036 *	0.256 *
Number of reflections	116923
Completeness [%]	93.4 *	65.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	4 *	PEG 3350, magnesium formate, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG3350	10 (%)
2	1	drop	magnesium formate	0.1 (M)	pH5.9
3	1	reservoir	PEG3350	20 (%)
4	1	reservoir	magnesium formate	0.2 (M)	pH5.9