4F6F

Carbonmonoxy structure of His100Phe 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 IV++
Wavelength(s)	1.5412
Spacegroup name	P 21 21 21
Unit cell lengths	42.370, 43.549, 59.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.040 - 1.560
R-factor	0.1957
Rwork	0.193
R-free	0.21720
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.014
RMSD bond angle	1.004
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]	27.040	27.040	1.610
High resolution limit [Å]	1.560	3.360	1.560
Rmerge	0.046	0.041	0.160
Total number of observations		5342	2309
Number of reflections	14611
<I/σ(I)>	15.2	32	6.6
Completeness [%]	90.0	98.4	52.8
Redundancy	3.2	3.05	2.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	298	Protein crystallized from 2.5 mM Ammonium Sulfate and 0.1M sodium Citrate , pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K