1KR7

Crystal structure of the nerve tissue mini-hemoglobin from the nemertean worm Cerebratulus lacteus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.739, 1.740, 0.915
Spacegroup name	P 21 21 21
Unit cell lengths	42.721, 43.173, 60.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 * - 1.500
R-factor	0.153 *
Rwork	0.153
R-free	0.18702
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.140 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.054	0.239
Total number of observations	67606 *
Number of reflections	17906
<I/σ(I)>	14.3	3.2
Completeness [%]	97.1	95.7
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5	4 *	ammonium sulfate, sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	27 (mg/ml)
2	1	reservoir	ammonium sulfate	60 (%)
3	1	reservoir	sodium acetate	50 (mM)	pH5.5