7VW2

Structure of a dimeric periplasmic protein bound with cupric ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	50.446, 74.412, 50.786
Unit cell angles	90.00, 96.18, 90.00

Refinement procedure

Resolution	33.607 - 2.186
R-factor	0.2472
Rwork	0.245
R-free	0.28180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ffb
RMSD bond length	0.005
RMSD bond angle	0.662
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.186	2.200
Rmerge	0.083	0.542
Rpim	0.037	0.237
Number of reflections	9492	941
<I/σ(I)>	20.8	3.5
Completeness [%]	97.9	98.1
Redundancy	6.2	6.1
CC(1/2)	0.996	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Sodium thiocyanate, AmSO4