9G39

Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperature (data set at 100 K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
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	37.070, 56.654, 19.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.020 - 1.280
R-factor	0.1526
Rwork	0.153
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.871
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.290
High resolution limit [Å]	1.280	1.280
Rmerge	0.123	0.715
Number of reflections	32461	276
<I/σ(I)>	33.6
Completeness [%]	98.8
Redundancy	1.95
CC(1/2)	0.994

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