1QVS

Crystal Structure of Haemophilus influenzae H9A mutant Holo Ferric ion-Binding Protein A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-02
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	105.999, 75.656, 33.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.000 * - 2.100
R-factor	0.17112
Rwork	0.168
R-free	0.22600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d9v
RMSD bond length	0.009
RMSD bond angle	1.074
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]	62.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.075 *	0.187 *
Number of reflections	15136
Completeness [%]	97.4 *	92.7
Redundancy	3.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	4 *	PEG 550 MME, Tris, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	PEG550 MME	18 (%)
3	1	drop	Tris	0.05 (M)	pH7.6
4	1	reservoir	PEG550 MME	36 (%)
5	1	reservoir	Tris	0.1 (M)	pH7.6