1CH4

MODULE-SUBSTITUTED CHIMERA HEMOGLOBIN BETA-ALPHA (F133V)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1996-10
Detector	MACSCIENCE
Spacegroup name	P 1 21 1
Unit cell lengths	62.870, 81.310, 55.110
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.188
Rwork	0.188
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CN-HEMOGLOBIN H
RMSD bond length	0.012
RMSD bond angle	19.906 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.088
Number of reflections	17766
<I/σ(I)>	5.6
Completeness [%]	91.2	82.5
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	18 *	Shirai, T., (1998) Proteins: Struct.,Funct., Genet., 32, 263. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25 (%(w/v))
2	1	reservoir	sodium potassium phosphate	0.1 (M)
3	1	drop	protein	0.600 (mM)
4	1	drop	sodium phosphate	50 (mM)