4F6B

Aquomet 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	42.680, 43.470, 59.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.545 - 1.640
R-factor	0.1823
Rwork	0.180
R-free	0.20190
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.943
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.049	0.048	0.112
Number of reflections	13828
<I/σ(I)>	49.9
Completeness [%]	98.0	96.5	98.1
Redundancy	3.3	3.3	3.4

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