8YLH

Crystal structure of Pectobacterium atrosepticum PecS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-10-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	52.350, 76.367, 78.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.720 - 1.550
R-factor	0.2014
Rwork	0.201
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ylf
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.580
High resolution limit [Å]	1.550	1.550
Number of reflections	46157	2313
<I/σ(I)>	28.9	2.8
Completeness [%]	99.5	100
Redundancy	5.2	5.1
CC(1/2)	0.995	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	PEG 3350, Hepes, magnesium chloride