7TSS

Room temperature rsEospa Trans-state structure at pH 8.4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	298
Detector technology	PIXEL
Collection date	2020-03-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	39.600, 74.500, 78.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.521 - 1.750
Rwork	0.192
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5oq9 5oqa
RMSD bond length	0.009
RMSD bond angle	1.549
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.910	1.813
High resolution limit [Å]	1.750	1.750
Number of reflections	13139114	887337
<I/σ(I)>	4.035	1.31
Completeness [%]	100.0	100
Redundancy	541.8
CC(1/2)	0.910	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.4	293	0.2 M LITHIUM SULFATE 0.1 M TRIS-Cl PH 8.5, 25% PEG 3350, 15 mg/ml PROTEIN CONCENTRATION