1CH9

RECOMBINANT SPERM WHALE MYOGLOBIN H97Q MUTANT (MET)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-08-07
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 6
Unit cell lengths	91.597, 91.597, 46.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 1.800
R-factor	0.1466
R-free	0.18500 *
Structure solution method	OTHER
Starting model (for MR)	1MBW
RMSD bond length	0.012
RMSD bond angle	2.100 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXS
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Rmerge	0.049
Total number of observations	36034 *
Number of reflections	19568 *
Completeness [%]	95.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9		2.6-3.0 M (NH4)2SO4, 20 MM TRIS, 1 MM EDTA, PH 9.0

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)