9GY1

High resolution crystal structure of StM23 peptidoglycan hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 61
Unit cell lengths	52.690, 52.690, 77.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.320 - 1.350
R-factor	0.1228
Rwork	0.122
R-free	0.14400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zyb
RMSD bond length	0.009
RMSD bond angle	1.085
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.320	1.430
High resolution limit [Å]	1.350	1.350
Number of reflections	52838	8497
<I/σ(I)>	36.51
Completeness [%]	99.9	100
Redundancy	6.6
CC(1/2)	0.990	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.05 Sodium cacodylate trihydrate pH 6.5; 0.08 M Magnesium Acetate tetrahydrate and 30% w/v Polyethylene glycol 4000