3AQ8

Crystal structure of truncated hemoglobin from Tetrahymena pyriformis, Q46E mutant, Fe(III) form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 65 2 2
Unit cell lengths	69.526, 69.526, 354.855
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.600 - 1.830
R-factor	0.20625
Rwork	0.205
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aq5
RMSD bond length	0.033
RMSD bond angle	2.450
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.830	1.830
Number of reflections	45212
<I/σ(I)>		2.3
Completeness [%]	97.6	98.7
Redundancy		11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.0M ammonium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K