9S06

Dark-state of CBD of TtCarH (TR-SFX, SACLA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293.15
Detector technology	CCD
Collection date	2022-11-01
Detector	MPCCD
Wavelength(s)	1.55
Spacegroup name	P 21 21 21
Unit cell lengths	64.800, 71.090, 207.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.1764
Rwork	0.174
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.991
Data reduction software	CrystFEL (0.10.1)
Data scaling software	CrystFEL (0.10.1)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Number of reflections	61105	4014
<I/σ(I)>	22.83	1.87
Completeness [%]	100.0	100
Redundancy	12903	9207
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293.15	0.1 M HEPES pH 7.5, 20% PEG 10000.