1N9I

structure of earth-grown oxidized myoglobin mutant YQR (ISS8A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-15
Detector	MARRESEARCH
Wavelength(s)	1.001
Spacegroup name	P 6
Unit cell lengths	90.330, 90.330, 45.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.600
Rwork	0.188
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f65
RMSD bond length	0.006
RMSD bond angle	0.879
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.600	1.600 *
Rmerge	0.033	0.129 *
Number of reflections	27908 *
<I/σ(I)>	29.3
Completeness [%]	99.9 *	100 *
Redundancy	4.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.7	293	ammonium sulfate, tris, EDTA, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	Tris-HCl	100 (mM)	pH8.7
3	1	reservoir	EDTA	1 (mM)
4	1	reservoir	ammonium sulfate	2.8 (M)