1DTM

CRYSTAL STRUCTURE OF THE SPERM-WHALE MYOGLOBIN MUTANT H93G COMPLEXED WITH 4-METHYLIMIDAZOLE, METAQUO FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1994-07-29
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	40.276, 48.892, 78.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.130
R-factor	0.175
RMSD bond length	0.019
RMSD bond angle	2.900
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.298
High resolution limit [Å]	2.130	2.130
Rmerge	0.036	0.141
Number of reflections	7356
<I/σ(I)>	12.54
Completeness [%]	78.9	49
Redundancy	2.63	1.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Mb solution	1 (%)
2	1	reservoir	PEG8000	35-37.5 (%)
3	1	reservoir		0.3-0.35 (M)
4	1	reservoir	PIPES	0.1 (M)
5	1	reservoir	dioxane	0.1 (%)