8B2F

SH3-like cell wall binding domain of the GH24 family muramidase from Trichophaea saccata in complex with triglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97622
Spacegroup name	P 1
Unit cell lengths	26.105, 27.234, 50.039
Unit cell angles	76.68, 81.27, 72.66

Refinement procedure

Resolution	48.497 - 1.183
Rwork	0.113
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8b2s
RMSD bond length	0.007
RMSD bond angle	1.396
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.500	48.500	1.200
High resolution limit [Å]	1.180	6.480	1.180
Rmerge	0.021	0.020	0.145
Rmeas	0.029	0.029	0.206
Rpim	0.021	0.020	0.145
Number of reflections	27938	245	96
<I/σ(I)>	28.1	56.8	3
Completeness [%]	67.0	98.4	4.7
Redundancy	3.4	3.6	1.3
CC(1/2)	0.999	0.999	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	10 mM triglycine added to the protein prior to crystallisation. Morpheus screen, condition D10