9M3L

Crystal structure of ADP-ribosylated endolytic muramidase TdeM from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	P 43 21 2
Unit cell lengths	97.734, 97.734, 92.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.870 - 2.000
R-factor	0.208
Rwork	0.206
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.932
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.103	0.070	1.509
Rmeas	0.105	0.072	1.549
Rpim	0.021	0.014	0.340
Total number of observations	777167
Number of reflections	30801	3323	3018
<I/σ(I)>	5.7
Completeness [%]	100.0	100	100
Redundancy	25.2	24.2	20.4
CC(1/2)	0.960	0.991	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M MES monohydrate, pH 7.0, 2.0M NaCl, 1% benzamidine-HCl