7AJZ

The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide)

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	2017-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979080
Spacegroup name	P 21 21 21
Unit cell lengths	57.510, 92.558, 276.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 2.980
R-factor	0.2123
Rwork	0.209
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7aj9
RMSD bond length	0.006
RMSD bond angle	1.367
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]	48.900	3.140
High resolution limit [Å]	2.980	2.980
Rpim	0.047	1.265
Number of reflections	31171	4455
<I/σ(I)>	10	11.5
Completeness [%]	100.0	100
Redundancy	10.9	11.5
CC(1/2)	0.998	0.405

Crystallization Conditions

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