8BJ6

Crystal structure of YopR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9718
Spacegroup name	C 1 2 1
Unit cell lengths	189.682, 108.007, 53.601
Unit cell angles	90.00, 90.36, 90.00

Refinement procedure

Resolution	94.840 - 2.600
R-factor	0.21977
Rwork	0.218
R-free	0.25450
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.518
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	CRANK2
Refinement software	REFMAC (v7.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.840	2.740
High resolution limit [Å]	2.600	2.600
Rmeas	0.095	0.460
Rpim	0.037	0.194
Total number of observations	209837	26583
Number of reflections	32678	4555
<I/σ(I)>	12.5	3.8
Completeness [%]	98.2
Redundancy	6.4	5.8
CC(1/2)	0.998	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20% (w/v) PEG 8000, 100 mM Sodium phosphate dibasic/ Citric acid pH 4.2, 200 mM Sodium chloride