1LJW

Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-02-21
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.566, 53.566, 192.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 - 2.160
R-factor	0.194 *
Rwork	0.194
R-free	0.25900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hco
RMSD bond length	0.013
RMSD bond angle	19.800 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.260
High resolution limit [Å]	2.160	2.160
Rmerge	0.052	0.177
Total number of observations	44267 *
Number of reflections	14441 *	1229 *
<I/σ(I)>	17.3	5.1
Completeness [%]	90.2 *	92.6 *
Redundancy	3.1	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.4	298	Perutz, M.F., (1968) J. Cryst. Growth, 2, 54. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	40 (mg/ml)
2	1	1	sodium potassium phosphate	3.4 (M)	pH6.4
3	1	1	phosphate	2.35-2.65 (M)