6IU5

Crystal structure of cytoplasmic metal binding domain with zinc ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.282
Spacegroup name	P 31
Unit cell lengths	84.942, 84.942, 98.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.510 - 2.250
R-factor	0.19993
Rwork	0.198
R-free	0.25002
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.589
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.471	42.479	2.330
High resolution limit [Å]	2.250	4.845	2.250
Rmerge	0.144	0.105	1.190
Rmeas	0.165
Rpim	0.080
Total number of observations	316698
Number of reflections	37519	3766	3727
<I/σ(I)>	5.5282	12.8067	0.9053
Completeness [%]	99.8
Redundancy	4.1795	4.2716	3.7116
CC(1/2)	0.990	0.989	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	21-23% PEG600, 0.1 M HEPES pH7.0 and 0.001-0.003 M zinc cloride