1NS9

The 1.6A Structure of Horse Methemoglobin at pH 7.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1997-09-20
Detector	UCSD MARK II
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	108.400, 63.200, 54.600
Unit cell angles	90.00, 110.90, 90.00

Refinement procedure

Resolution	53.450 - 1.590 *
R-factor	0.17992
Rwork	0.180
R-free	0.20000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.190 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.590 *	1.590 *
Rmerge	0.047	0.253 *
Total number of observations	186644 *
Number of reflections	42686 *
Completeness [%]	92.3	75.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.1	298	1.5M ammonium sulfate, 0.35 M ammonium phosphate, pH 7.1, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	horse methemoglobin	2 (%)
2	1	1	ammonium sulfate	1.5 (M)
3	1	1	ammonium phosphate	0.35 (M)	pH7.1