7EE6

Crystal structure of PltC toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 2
Unit cell lengths	115.997, 184.170, 68.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.290
R-factor	0.1721
Rwork	0.170
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6l
RMSD bond length	0.008
RMSD bond angle	1.017
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.372
High resolution limit [Å]	2.290	2.290
Number of reflections	67108	6544
<I/σ(I)>	16.61
Completeness [%]	99.7
Redundancy	6.5
CC(1/2)	0.990	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	291	10% PEG10K, 0.1M sodium citrate and 15% acetone