1DUO

SPERM WHALE METAQUOMYOGLOBIN PROXIMAL HISTIDINE MUTANT H93G WITH 1-METHYLIMIDAZOLE AS PROXIMAL LIGAND.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1994-11-29
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	40.161, 49.033, 79.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.181
RMSD bond length	0.020
RMSD bond angle	3.000
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	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.056	0.182
Number of reflections	9290
<I/σ(I)>	9.7
Completeness [%]	76.0	71.1
Redundancy	2.19	1.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		35 % PEG 8000, 0.3 M NaOAc, 0.1 M PIPES, and 0.1 % dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP

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 (%)