2OH8

Myoglobin cavity mutant I28W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-12
Detector	RIGAKU RAXIS IV
Spacegroup name	P 6
Unit cell lengths	91.438, 91.438, 45.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.890 - 1.800
Rwork	0.156
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.000
Data scaling software	d*TREK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.890	45.900	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.039	0.022	0.168
Total number of observations		20766	2966
Number of reflections	20060
<I/σ(I)>	14.8	30.2	3.9
Completeness [%]	91.3	99	53.1
Redundancy	4.25	4.99	1.41

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, pH9.0), MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (2.8 M AMMONIUM SULPHATE, 0.050 M TRIS-HCL, pH9.0). cryo-protected with 20% SUCROSE, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP