8QZG

1,3 L,D-transpeptidase from Gluconobacter oxydans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	52.778, 56.688, 93.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 1.730
R-factor	0.1722
Rwork	0.170
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (1.20rc3_4406)
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	1.794
High resolution limit [Å]	1.730	1.732
Rmerge	0.111
Number of reflections	29339	2614
<I/σ(I)>	10.48	1.12
Completeness [%]	98.5	88.03
Redundancy	5.6	3.4
CC(1/2)	0.997	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M Imidazole MES monohydrate (acid) pH 6.5, 30 mM Magnesium chloride hexahydrate, 30 mM Calcium chloride dihydrate, 20% v/v PEG 500* MME; 10 % w/v PEG 20000 (Morpheus A1 condition)