9S0I

Intermediate-state of CBD of TtCarH mutant - H132A after 10 ms illumination (SSX, DLS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2022-07-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	64.508, 71.433, 206.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.510 - 2.200
R-factor	0.2025
Rwork	0.200
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.992
Data reduction software	xia2 (3.22.1)
Data scaling software	xia2 (3.22.1)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.380	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	49422	2471
<I/σ(I)>	6.9	0.8
Completeness [%]	99.9	99.2
Redundancy	56.37	6.56
CC(1/2)	0.992	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.8	293.15	0.1 M ammonium sulfate, 0.1 M sodium citrate, pH 5.8, 16% w/v PEG 4000, 20% v/v glycerol