3LHB

THE 2.7 ANGSTROM CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN FROM THE SEA LAMPREY (PETROMYZON MARINUS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293.15
Detector technology	IMAGE PLATE
Collection date	1997-12-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	59.630, 215.160, 75.390
Unit cell angles	90.00, 95.80, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.195
Rwork	0.195
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lhb
RMSD bond length	0.007
RMSD bond angle	1.261 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.076 *
Total number of observations	147754 *
Number of reflections	49184
<I/σ(I)>	12	2.7
Completeness [%]	94.7	87.2
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.8		pH 6.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	22 (%)
2	1	1	phosphate	170 (mM)