1FHJ

CRYSTAL STRUCTURE OF AQUOMET HEMOGLOBIN-I OF THE MANED WOLF (CHRYSOCYON BRACHYURUS) AT 2.0 RESOLUTION.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	1998-08-27
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	54.184, 87.725, 133.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
Rwork	0.194
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HUMAN OXYHEMOGLOBIN pdb id 1HHO
RMSD bond length	0.013
RMSD bond angle	1.710
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.548	1.900
High resolution limit [Å]	1.864	1.860
Rmerge	0.050	0.583
Number of reflections	50240
<I/σ(I)>	9.4
Completeness [%]	93.1	78.7
Redundancy	2.62	2.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	PEG 1500 30%, VAPOR DIFFUSION, temperature 295K