8Z4H

Pseudomurein Endoisopeptidase PeiR

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	2024-01-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	73.828, 86.916, 87.993
Unit cell angles	90.00, 91.85, 90.00

Refinement procedure

Resolution	73.790 - 1.790
R-factor	0.2546
Rwork	0.253
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.031
RMSD bond angle	3.858
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.790	1.860
High resolution limit [Å]	1.790	1.790
Rmerge	0.068	0.770
Number of reflections	95039	4647
<I/σ(I)>	5.05
Completeness [%]	90.9
Redundancy	2.77
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Precipitant:25% w/v Polyethylene glycol 3,350; Buffer:0.1 M HEPES pH 7.5; Salt :0.2 M Ammonium sulfate;