9G3A

Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperature, 160 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	160
Detector technology	PIXEL
Collection date	2000-01-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.534
Spacegroup name	C 2 2 21
Unit cell lengths	37.384, 56.338, 19.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.150 - 1.900
R-factor	0.1597
Rwork	0.160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.036
Data reduction software	XPREP
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.150	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.150
Number of reflections	9670	400
<I/σ(I)>	9.3
Completeness [%]	96.8
Redundancy	2.3
CC(1/2)	0.990	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	drop containing 2.0 μL of 1:1 (v/v) mixture of protein solution (10 mg/mL, 7 mM DTT, 4 mM CdCl2) and 2.0 μL of precipitant buffer (0.1 M HEPES at pH 7.5, 1.4 M sodium citrate tribasic dihydrate) was equilibrated against 0.5 mL reservoir of precipitant buffer