7AJO

The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979160
Spacegroup name	P 21 21 21
Unit cell lengths	57.849, 102.328, 113.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.670 - 1.850
R-factor	0.1831
Rwork	0.181
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7aj9
RMSD bond length	0.011
RMSD bond angle	1.651
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	1.890
High resolution limit [Å]	1.850	1.850
Rpim	0.069	1.042
Number of reflections	58138	3549
<I/σ(I)>	9	6.4
Completeness [%]	99.9	99.9
Redundancy	6.2	6.4
CC(1/2)	0.997	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 M HEPES pH 7 + 10% PEG 8000 + 10% Ethylene Glycol