3S48

Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	I 41
Unit cell lengths	115.607, 115.607, 142.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.740 - 3.050
R-factor	0.24153
Rwork	0.240
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ovu
RMSD bond length	0.004
RMSD bond angle	0.640
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.740	3.100
High resolution limit [Å]	3.050	3.050
Number of reflections	16833
Completeness [%]	99.4	99.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M sodium sulphate, 0.1M Bis Tris propane, 16%(w/v) PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K