1Z8U

Crystal structure of oxidized alpha hemoglobin bound to AHSP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2004-08-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.7319, 1.7338, 1.7
Spacegroup name	C 1 2 1
Unit cell lengths	65.808, 113.747, 80.098
Unit cell angles	90.00, 94.66, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.225
Rwork	0.222
R-free	0.25200
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.270
Number of reflections	22990
<I/σ(I)>	20.9	4.5
Completeness [%]	99.5	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	MES, PEG-2000 monomethyl ether, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K