2EVP

The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-07
Detector	MARRESEARCH
Wavelength(s)	0.97929
Spacegroup name	P 21 21 21
Unit cell lengths	39.670, 47.770, 77.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.195
Rwork	0.194
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dtm
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	16116

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	37% PEG 8K, 300mM Sodium Acetate, 0.1M PIPES, 0.1% dioxane , VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.2