9S0G

Intermediate-state of CBD of TtCarH after illumination at 180 K (MX, ESRF)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	63.990, 70.130, 206.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.550 - 1.900
R-factor	0.2066
Rwork	0.205
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	73255	5391
<I/σ(I)>	14.3	1
Completeness [%]	98.9	98.4
Redundancy	11.1
CC(1/2)	0.999	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294.15	Morpheus screen condition B3