8J65

the structure of L,D-transpeptidase LdtMt2 complex with citrate

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	2016-11-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	51.184, 75.885, 67.068
Unit cell angles	90.00, 111.92, 90.00

Refinement procedure

Resolution	48.115 - 1.800
R-factor	0.2134
Rwork	0.212
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vyp
RMSD bond length	0.004
RMSD bond angle	0.670
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.068	0.784
Rmeas	0.073	0.846
Rpim	0.038	0.314
Number of reflections	42144	2497
<I/σ(I)>	18.6
Completeness [%]	95.6	95.8
Redundancy	7
CC(1/2)	0.999	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	25% PEG3350, 10 mM citrate