1DTI

Recombinant sperm whale myoglobin h97d, d122n mutant (met)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1997-02-24
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	49.163, 40.002, 80.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 1.700
R-factor	0.183
R-free	0.22700 *
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1MBW
RMSD bond length	0.010
RMSD bond angle	2.100 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Rmerge	0.044
Total number of observations	66693 *
Number of reflections	17917 *
Completeness [%]	98.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	2.6-3.0 M (NH4)2SO4, 20 MM TRIS, 1 MM EDTA, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	ammonium sulfate	2.4-3.0 (M)
3	1	drop	Tris-HCl	20 (mM)
4	1	drop	EDTA	1 (mM)
5	1	reservoir	ammonium sulfate	2.4-3.0 (M)