7DRI

Structure of SspE_CTD_41658

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	2018-10-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.978
Spacegroup name	C 2 2 21
Unit cell lengths	108.746, 278.918, 182.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.970 - 2.720
R-factor	0.268
Rwork	0.268
R-free	0.27160
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.907
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.780
High resolution limit [Å]	2.720	7.400	2.730
Rmerge	0.116	0.074	0.738
Rmeas	0.121	0.077	0.773
Rpim	0.033	0.022	0.224
Number of reflections	74340	3948	3555
<I/σ(I)>	4.9
Completeness [%]	99.8	99.9	97.5
Redundancy	13.1	12.3	11.2
CC(1/2)		0.997	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	14% PEG 4000, 0.1 M imidazole and 0.2 M magnesium phosphate, pH 7.0