4F68

Oxy structure of Tyr11Phe/Gln44Leu/Thr48Val/Ala55Trp Cerebratulus lacteus mini-hemoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
Wavelength(s)	1.5412
Spacegroup name	P 21 21 21
Unit cell lengths	42.620, 43.550, 59.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.460 - 1.800
R-factor	0.2034
Rwork	0.201
R-free	0.22140
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.956
Data reduction software	d*TREK (9.9.8.9 W9RSSI)
Data scaling software	d*TREK
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.460	24.460	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.039	0.033	0.225
Total number of observations		2676	2483
Number of reflections	10650
<I/σ(I)>	14.3	32.9	4.1
Completeness [%]	98.8	92.6	100
Redundancy	2.4	2.46	2.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	298	Protein crystallized from 2.2mM Ammonium Sulfate and 0.2M Sodium thiocyanate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K