5HEV

Crystal Structure of the beryllofluoride-activated LiaR from Enterococcus faecium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31
Unit cell lengths	68.032, 68.032, 276.949
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.016 - 3.192
R-factor	0.2233
Rwork	0.219
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4if4
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((dev_2474: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.115	0.027	0.831
Rmeas	0.128	0.030
Rpim	0.065	0.013	0.558
Total number of observations	82921
Number of reflections	23488
<I/σ(I)>	5.9
Completeness [%]	98.3	95.6	97.9
Redundancy	3.5	3.8	2.9
CC(1/2)		0.980	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	283	0.1 M magnesium formate dehydrate, 15 % w/v Polyethylene glycol 3,350