6O93

D-alanyl transferase DltD from Enterococcus faecalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-02
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 65 2 2
Unit cell lengths	102.750, 102.750, 205.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.962 - 2.178
R-factor	0.1849
Rwork	0.183
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bma
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180808)
Data scaling software	XSCALE (VERSION Jan 26, 2018 BUILT=20180808)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.962	45.962	2.230
High resolution limit [Å]	2.178	9.740	2.180
Rmerge	0.180	0.031	0.835
Rmeas	0.194	0.034	0.928
Number of reflections	31722	405	2194
<I/σ(I)>	10.36	40	1.75
Completeness [%]	92.2	84.6	87.6
Redundancy	6.934	6.207	4.851
CC(1/2)	0.994	0.999	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	291	0.1 M Na2HPO4-citric acid pH 4.2, 1.6 M Na2HPO4, 0.4 M K2HPO4