8YLJ

Crystal structure of Pectobacterium atrosepticum PecS in complex with uric acid

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 2
Unit cell lengths	52.528, 78.796, 39.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.260 - 2.050
R-factor	0.2289
Rwork	0.227
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ylf
RMSD bond length	0.002
RMSD bond angle	0.431
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	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	10908	529
<I/σ(I)>	25.8	2.9
Completeness [%]	99.9	100
Redundancy	4.9	5.2
CC(1/2)	0.989	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	PEG 6000, Hepes, lithium chloride