9G3U

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	300
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	35.029, 57.107, 19.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 2.200
R-factor	0.1731
Rwork	0.173
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.282
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.860	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.148	0.367
Number of reflections	4341	100
<I/σ(I)>	5.18
Completeness [%]	90.3
Redundancy	1.6
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