1JW8

1.3 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF P6 FORM OF MYOGLOBIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Wavelength(s)	0.91
Spacegroup name	P 6
Unit cell lengths	90.380, 90.380, 45.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.300
R-factor	0.133
Rwork	0.133
R-free	0.15700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.067	0.272
Number of reflections	49946
<I/σ(I)>	28
Completeness [%]	94.6	83
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	Ammonium sulfate, Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	9	295	Ammonium sulfate, Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	9	295	Ammonium sulfate, Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K