3BJ2

met-Perch Hemoglobin at pH 6.3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	93
Detector technology	CCD
Detector	MAR CCD 130 mm
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.636, 85.022, 123.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.000 - 2.000
R-factor	0.18639
Rwork	0.184
R-free	0.23179
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ouu
RMSD bond length	0.021
RMSD bond angle	1.685
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	70.000
High resolution limit [Å]	1.900
Number of reflections	38119

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	298	0.1 M N-(2-Acetamido) Iminodiacetic Acid (ADA) at pH 6.3 and 17% PEG 4K, VAPOR DIFFUSION, HANGING DROP, temperature 298K