4F69

Carbonmonoxy 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 IV++
Wavelength(s)	1.5412
Spacegroup name	P 21 21 21
Unit cell lengths	42.650, 43.360, 59.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.076 - 1.600
R-factor	0.2091
Rwork	0.206
R-free	0.23340
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.973
Data reduction software	d*TREK (9.9.8.9 W9RSSI)
Data scaling software	d*TREK
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.080	27.080	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.048	0.042	0.312
Total number of observations		4210	2822
Number of reflections	14641
<I/σ(I)>	11.7	33.5	2.6
Completeness [%]	97.0	96.4	89.7
Redundancy	2.62	2.58	2.14

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