6CFD

ADEP4 bound to E. faecium ClpP

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	2017-06-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	97.395, 202.166, 97.385
Unit cell angles	90.00, 102.69, 90.00

Refinement procedure

Resolution	101.080 - 2.570
R-factor	0.1764
Rwork	0.175
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sta
RMSD bond length	0.015
RMSD bond angle	1.795
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.163	0.086	0.878
Rmeas	0.178	0.094	0.970
Rpim	0.069	0.036	0.405
Total number of observations	688990
Number of reflections	114674	5813	5793
<I/σ(I)>	7.4
Completeness [%]	100.0	99.7	100
Redundancy	6	6.2	5
CC(1/2)		0.994	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291.15	0.1 M sodium acetate, pH 4.5, 18-35% MPD, 0.02 M calcium chloride