8Z4N

Pseudomurein Endoisopeptidase PeiR-C90A

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	74.476, 88.024, 87.412
Unit cell angles	90.00, 91.63, 90.00

Refinement procedure

Resolution	74.450 - 1.769
Rwork	0.227
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
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]	74.450	1.832
High resolution limit [Å]	1.769	1.769
Rmerge	0.121	1.494
Rmeas	0.132	1.627
Rpim	0.052	0.635
Number of reflections	109917	9277
<I/σ(I)>	8.72	1.29
Completeness [%]	92.4	84.77
Redundancy	6.5	6.4
CC(1/2)	0.998	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Salt:40.2 M Potassium phosphate dibasic; Precipitant:20% w/v Polyethylene glycol 3,350, pH 9.2;