1GVH

The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unespected geometry of the distal heme pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Spacegroup name	P 6 2 2
Unit cell lengths	164.860, 164.860, 53.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.190
R-factor	0.187
Rwork	0.187
R-free	0.24700
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.801 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.190
Rmerge	0.090
Number of reflections	22448
Completeness [%]	99.5
Redundancy	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.1	25 *	SODIUM ACETATE 0.1 M PH 5.1, PEG 3350 21-26%, NACL 0.2 M

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	22 (mg/ml)
2	1	reservoir	sodium acetate	0.1 (M)	pH5.1-5.3
3	1	reservoir	PEG3350	21-26 (%)
4	1	reservoir		0.2 (M)