9KBS

Crystal structure of PHAb11, another peptidoglycan hydrolase with thermal stability and broad-spectrum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	81
Detector technology	CCD
Collection date	2021-11-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 2 2 21
Unit cell lengths	50.010, 54.900, 161.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.620 - 2.270
R-factor	0.2475
Rwork	0.246
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.576
Data reduction software	xia2
Data scaling software	xia2
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.620	2.351
High resolution limit [Å]	2.270	2.270
Number of reflections	21246	2049
<I/σ(I)>	14.54
Completeness [%]	99.7
Redundancy	12.3
CC(1/2)	0.992	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M Citric acid pH 3.5, 34% v/v Polyethylene glycol 200.