8JX4

Structure of the catalytic domain of pseudomurein endo-isopeptidases PeiW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1 2 1
Unit cell lengths	53.285, 68.114, 108.844
Unit cell angles	90.00, 102.03, 90.00

Refinement procedure

Resolution	35.480 - 2.300
R-factor	0.2296
Rwork	0.226
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.190
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.585	2.380
High resolution limit [Å]	2.297	2.297
Rmerge		0.573
Rmeas	0.198
Number of reflections	33556	3141
<I/σ(I)>	8
Completeness [%]	98.1
Redundancy	4.4
CC(1/2)	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Precipitant:40.00 % v/v Polyethylene glycol 400; Buffer:100 mM TRIS; pH 8.5; Additive :200 mM Lithium sulfate;