1UVY

HEME-LIGAND TUNNELING IN GROUP I TRUNCATED HEMOGLOBINS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-09-15
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	61.380, 61.380, 33.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.400
R-factor	0.211
Rwork	0.211
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dlw
RMSD bond length	0.011
RMSD bond angle	1.390
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.112	0.360
Number of reflections	4985
<I/σ(I)>	8	2.6
Completeness [%]	98.3	98.7
Redundancy	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5 *	4 *	Pesce, A., (2000) EMBO J., 19, 2424. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	ammonium sulfate	35 (%)
3	1	reservoir	sodium acetate	50 (mM)	pH5.5