1MKO

A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-21
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.530, 154.570, 55.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 * - 2.180
R-factor	0.2
Rwork	0.200
R-free	0.28200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hhb
RMSD bond length	0.017
RMSD bond angle	19.700 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.180	2.180
Rmerge	0.065	0.228
Number of reflections	27473	2344 *
<I/σ(I)>	13.2	3.3
Completeness [%]	91.0	63.3 *
Redundancy	4.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *	298	Perutz, M.F., (1968) J.Crystal Growth, 2, 54. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		4 (M)
2	1	1		2 (M)
3	1	1		2 (M)