1IT2

Hagfish deoxy hemoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-23
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	104.024, 62.269, 66.536
Unit cell angles	90.00, 107.40, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.206 *
Rwork	0.211
R-free	0.23600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f5o
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.291
Total number of observations	221709 *
Number of reflections	52908
<I/σ(I)>	13.5	3.3
Completeness [%]	99.2	95.2
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5	27 *	PEG 4000, Tris-Buffer, pH 6.5, SMALL TUBES, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	19 (%)
2	1	1	glycerol	10 (%)
3	1	1	Bis-Tris-HCl	50 (mM)	pH6.5
4	1	1	2-mercaptoethanol	0.020 (mM)
5	1	1		100 (mM)
6	1	1	protein	1.5 (%)