6PFX

D-alanyl transferase DltD from Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-17
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	74.255, 76.434, 78.400
Unit cell angles	90.00, 117.72, 90.00

Refinement procedure

Resolution	33.040 - 1.500
R-factor	0.1895
Rwork	0.188
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o93
RMSD bond length	0.007
RMSD bond angle	0.901
Data scaling software	HKL-2000 (716.1)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.040	33.040	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge		0.057	0.749
Rmeas		0.069	0.900
Rpim	0.076	0.038	0.492
Number of reflections	121042	6126	5948
<I/σ(I)>	15.8
Completeness [%]	98.0	96.6	97.3
Redundancy	3.3	3.2	3
CC(1/2)		0.993	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	291	0.1M sodium citrate pH 3.8, 25% PEG3350, 4% polypropylene glycol P400