4F6D

Oxy 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
Wavelength(s)	1.5412
Spacegroup name	P 21 21 21
Unit cell lengths	42.528, 43.485, 59.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.074 - 1.800
R-factor	0.1716
Rwork	0.169
R-free	0.19710
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.025
RMSD bond angle	0.922
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]	100.000	100.000	1.830
High resolution limit [Å]	1.800	4.890	1.800
Rmerge	0.046	0.037	0.098
Number of reflections	10039
<I/σ(I)>	41.1
Completeness [%]	93.5	89.3	94.1
Redundancy	2.5	2.4	2.6

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