1NNF

Crystal Structure Analysis of Haemophlius Influenzae Ferric-ion Binding Protein H9Q Mutant Form

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	2002-06-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	105.101, 75.344, 33.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.410 - 1.100
R-factor	0.15934
Rwork	0.158
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d9v
RMSD bond length	0.010
RMSD bond angle	1.257
Data reduction software	TRUNCATE
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.410	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.044 *	0.199 *
Number of reflections	89423
Completeness [%]	86.2 *	36.1
Redundancy	6.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	20 *	PEG 5000, Tris HCl, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG5000	10 (%(w/v))
2	1	drop	Tris-HCl	50 (mM)	pH8.2
3	1	reservoir	PEG5000	20 (%)
4	1	reservoir	Tris-HCl	100 (mM)	pH8.2