9CU3

Allosteric mechanism of DriD transcription activator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.02
Spacegroup name	P 31 2 1
Unit cell lengths	88.796, 88.796, 141.523
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.400 - 1.900
R-factor	0.2033
Rwork	0.202
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.840
Data reduction software	XDS (8.0.012)
Data scaling software	Aimless (8.0.012)
Phasing software	PHASER (1.21-5207)
Refinement software	PHENIX (1.21-5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.730	2.310
High resolution limit [Å]	1.900	2.190
Rmerge	0.086	0.574
Rmeas	0.092	0.676
Rpim	0.032	0.347
Total number of observations		12020
Number of reflections	46532	3557
<I/σ(I)>	10.4	-0.4
Completeness [%]	95.1
Redundancy	7.9	3.4
CC(1/2)	0.997	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298.15	Ammonium sulfate dibasic, sodium cacodylate trihydrate