3GDJ

Crystal structure determination of camel(Camelus dromedarius)hemoglobin at 2 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-01-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5417
Spacegroup name	P 1 21 1
Unit cell lengths	52.759, 116.782, 52.807
Unit cell angles	90.00, 120.07, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.23062
Rwork	0.224
R-free	0.29471
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pgh
RMSD bond length	0.009
RMSD bond angle	1.118
Data reduction software	AUTOMAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.077	0.320
Number of reflections	35552
<I/σ(I)>	5.2	1
Completeness [%]	94.2	92.4
Redundancy	2.43	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	0.003ml of protein solution with 0.002ml of 45% PEG 3350 in 50mM of phosphate buffer at pH 6.8 with 1 M NaCl equilibrated against 1 ml of reservoir containing the same solution, VAPOR DIFFUSION, HANGING DROP, temperature 293KK