1CP5

RECOMBINANT SPERM WHALE MYOGLOBIN L104F MUTANT (MET)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-07-05
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 6
Unit cell lengths	91.600, 91.600, 45.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 2.100
R-factor	0.19 *
R-free	0.20850
Structure solution method	OTHER
Starting model (for MR)	1MBW
RMSD bond length	0.011 *
RMSD bond angle	1.900 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.851)
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.083
Total number of observations	66964 *
Number of reflections	12814 *
Completeness [%]	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9		2.6-3.0 M AMMONIUM SULFATE, 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)