3OO5

R-state human hemoglobin: nitriheme modified

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-03-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.499, 53.499, 192.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.486 - 2.100
R-factor	0.2349
Rwork	0.232
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ljw
RMSD bond length	0.009
RMSD bond angle	1.166
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]	27.500	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	17179
Completeness [%]	100.0	100
Redundancy	14.6

Crystallization Conditions

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