3OVU

Crystal Structure of Human Alpha-Haemoglobin Complexed with AHSP and the First NEAT Domain of IsdH from Staphylococcus aureus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.74086, 1.73903, 1.67541
Spacegroup name	P 21 21 21
Unit cell lengths	68.638, 71.659, 82.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.830
R-factor	0.2534
Rwork	0.252
R-free	0.28020
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.657
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.880
High resolution limit [Å]	2.830	7.670	2.830
Rmerge	0.163	0.119	0.669
Number of reflections	18538
<I/σ(I)>	10.9	8.8	1.6
Completeness [%]	99.8	100	99.7
Redundancy	3.4	3.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M sodium acetate, 20%(w/v) PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K