1LA6

The crystal structure of Trematomus newnesi hemoglobin in a partial hemichrome state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-03-30
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	89.853, 88.190, 55.142
Unit cell angles	90.00, 97.79, 90.00

Refinement procedure

Resolution	12.000 - 2.000
R-factor	0.181
Rwork	0.179
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t1n
RMSD bond length	0.010
RMSD bond angle	19.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.077	0.350
Total number of observations	64025 *
Number of reflections	27020
Completeness [%]	92.0 *	87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Free interface diffusion	6.2 *	293	Riccio, A., (2001) Acta Crystallogr., 57, 1144. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	sodium acetate	100 (mM)	pH6.2
3	1	3	MPEG5000	10 (%(w/v))