8GXV

Structure of a bacterial serpin Choloropin derived from Cholorobium limicola

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 2 21
Unit cell lengths	60.660, 60.910, 130.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.910 - 2.200
R-factor	0.2033
Rwork	0.201
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ee5
Data scaling software	Aimless
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.910	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.030
Number of reflections	25206	2453
<I/σ(I)>	15.11
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	25% PEG MME 550, 0.1M MES pH 6.5, 0.01M Zinc Sulfate