1MZ8

CRYSTAL STRUCTURES OF THE NUCLEASE DOMAIN OF COLE7/IM7 IN COMPLEX WITH A PHOSPHATE ION AND A ZINC ION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17B2
Synchrotron site	NSRRC
Beamline	BL17B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.29004
Spacegroup name	P 21 21 2
Unit cell lengths	119.735, 62.410, 74.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.000
R-factor	0.183
Rwork	0.183
R-free	0.24100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cei
RMSD bond length	0.016 *
RMSD bond angle	1.660 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.061 *	0.278 *
Total number of observations	169490 *
Number of reflections	36897
<I/σ(I)>	21.7	5.5
Completeness [%]	96.1	96.1
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	298	PEG4000, sodium phosphate, ammonium acetate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	phosphate	50 (mM)	pH6.3
3	1	drop	ammonium acetate	0.35 (M)
4	1	drop	PEG4000	11 (%)
5	1	reservoir	PEG4000	22.5 (%)