2OHA

Myoglobin cavity mutant F138W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-03-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 6
Unit cell lengths	90.180, 90.180, 45.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.590 - 1.800
Rwork	0.166
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.800
Data scaling software	d*TREK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.590	29.590	1.590
High resolution limit [Å]	1.540	3.310	1.540
Rmerge	0.048	0.037	0.144
Total number of observations		10996	649
Number of reflections	26942
<I/σ(I)>	16	31.4	2.6
Completeness [%]	85.4	99.7	19.4
Redundancy	2.89	3.32	1.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	PROTEIN SOLUTION (20 MG/ML PROTEIN, 0.020 M TRIS-HCL, pH 9.0), MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (2.8 M AMMONIUM SULPHATE, 0.050 M TRIS-HCL, pH 9.0), cryo-protected with 20% SUCROSE, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP