3OO4

R-state human hemoglobin: nitriheme modified at alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-03-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.487, 53.487, 190.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.200 - 1.900
R-factor	0.21
Rwork	0.207
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ljw
RMSD bond length	0.007
RMSD bond angle	1.110
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.200	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	22697
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.8	295	sodium phosphate, potassium phosphate, nitrite, toluene, hemoglobin, pH 6.8, LIQUID DIFFUSION, temperature 295K