9S0H

Dark-state of CBD of TtCarH mutant - H132A (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	64.497, 71.468, 206.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.700 - 2.000
R-factor	0.2023
Rwork	0.200
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.070
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]	103.190	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	65184	3195
<I/σ(I)>	7	1.1
Completeness [%]	100.0	100
Redundancy	52.6	41.25
CC(1/2)	0.991	0.408

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