3VHB

IMIDAZOLE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	61.640, 41.730, 61.560
Unit cell angles	90.00, 105.71, 90.00

Refinement procedure

Resolution	15.000 - 2.100
Structure solution method	OTHER
RMSD bond length	0.015
RMSD bond angle	17.767 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	TNT (5E)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.100
Rmerge	0.070 *
Total number of observations	17072 *
Number of reflections	5335
<I/σ(I)>	17
Completeness [%]	100.0
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.4	4.0 *	AMMONIUM SULFATE 1.3M, 0.1 M PYROPHOSPHATE, 3% ETHYLENE GLYCOLE, PH 6.4. IMIDAZOLE SOAKING CONDITION: 0.05M IMIDAZOLE FOR 30 MIN.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.3 (M)
2	1	reservoir	pyrophosphate	0.10 (M)
3	1	reservoir	ethylene glycol	3 (%(v/v))