1A9W

HUMAN EMBRYONIC GOWER II CARBONMONOXY HEMOGLOBIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1994-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 43 21 2
Unit cell lengths	62.800, 62.800, 320.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.900
R-factor	0.186 *
Rwork	0.185
R-free	0.23500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bbb
RMSD bond length	0.006
RMSD bond angle	19.500 *
Data reduction software	DENZO
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.970
High resolution limit [Å]	2.900	2.900
Rmerge	0.091	0.417 *
Total number of observations	118919 *
Number of reflections	14597 *
<I/σ(I)>	7.1	1.9
Completeness [%]	95.9	72.6 *
Redundancy	5.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	HEPES	0.01 (M)
3	1	drop	dithionite	2 (mM)
4	1	reservoir	TAPS-KOH	0.2 (M)
5	1	reservoir	MME PEG5000	21 (%(w/v))