3BCQ

Crystal structure of oxy-hemoglobin from Brycon cephalus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-10
Detector	MAR CCD 165 mm
Wavelength(s)	1.437
Spacegroup name	C 1 2 1
Unit cell lengths	119.366, 54.039, 101.906
Unit cell angles	90.00, 113.89, 90.00

Refinement procedure

Resolution	19.890 - 2.400
R-factor	0.17175
Rwork	0.166
R-free	0.27944
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xq5
RMSD bond length	0.029
RMSD bond angle	2.713
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.890
High resolution limit [Å]	2.400
Number of reflections	20385

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K