1Y01

Crystal structure of AHSP bound to Fe(II) alpha-hemoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 41 21 2
Unit cell lengths	69.630, 69.630, 140.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.274
Rwork	0.273
R-free	0.29200
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.870
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	8822
Completeness [%]	96.9	92
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	MES, PEG2000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	MES, PEG2000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K