1BZ1

HEMOGLOBIN (ALPHA + MET) VARIANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1992-09-18
Detector	SDMS
Spacegroup name	P 1 21 1
Unit cell lengths	63.300, 83.600, 53.800
Unit cell angles	90.00, 99.40, 90.00

Refinement procedure

Resolution	8.000 - 1.590
R-factor	0.17 *
Rwork	0.170
R-free	0.22400
Structure solution method	OTHER
Starting model (for MR)	HBA STRUCTURE PDB FILE IN BNL-25483
RMSD bond length	0.013
RMSD bond angle	0.030
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.720
High resolution limit [Å]	1.590	1.590
Rmerge	0.053	0.196
Total number of observations	399325 *
Number of reflections	61802
<I/σ(I)>	14	2.48
Completeness [%]	83.9	66.6
Redundancy	6.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	6.5		2.3 M AMMONIUM SULFATE 0.3 M AMMONIUM PHOSPHATE PH 6.5 10 MM FERROUS CITRATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium phosphate	10 (mM)