9G3C

Crystal Structure of the artificial protein METP in complex with cadmium ion at different temperatures. 200 K data collection

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
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	37.830, 56.655, 19.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.460 - 1.900
R-factor	0.132
Rwork	0.130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.506
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.460	1.610
High resolution limit [Å]	1.510	1.510
Rmerge	0.077	0.367
Number of reflections	13763	367
<I/σ(I)>	8.21
Completeness [%]	96.3
Redundancy	1.9
CC(1/2)	0.991	0.806

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