4F6I

Oxy Structure of His100Trp 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	42.150, 43.390, 59.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.974 - 1.560
R-factor	0.1996
Rwork	0.198
R-free	0.21420
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.902
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]	26.980	26.980	1.620
High resolution limit [Å]	1.560	3.360	1.560
Rmerge	0.044	0.042	0.445
Total number of observations		4187	1945
Number of reflections	15356
<I/σ(I)>	11.1	28.4	2.1
Completeness [%]	95.0	95	68.6
Redundancy	2.4	2.5	1.79

Crystallization Conditions

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