1CBL

THE 1.9 ANGSTROM STRUCTURE OF DEOXY-BETA4 HEMOGLOBIN: ANALYSIS OF THE PARTITIONING OF QUATERNARY-ASSOCIATED AND LIGAND-INDUCED CHANGES IN TERTIARY STRUCTURE

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	63.000, 81.800, 54.400
Unit cell angles	90.00, 89.70, 90.00

Refinement procedure

Resolution	10.000 - 1.900 *
R-factor	0.19
RMSD bond length	0.013
RMSD bond angle	0.033
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	1.830 *
Rmerge	0.052 *
Total number of observations	352416 *
Number of reflections	46515 *
Completeness [%]	95.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *			batch crystallization solution were prepared in a nitrogen-filled globe box *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Hb	1 (%)
2	1	1	sulfate	2.04 (M)
3	1	1	phosphate	0.26 (M)
4	1	1	ferrous citrate	9 (mM)