6ZZA

Crystal structure of CbpB in complex with c-di-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9801
Spacegroup name	P 31 2 1
Unit cell lengths	93.830, 93.830, 33.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.050 - 2.491
R-factor	0.189
Rwork	0.186
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zz9
RMSD bond length	0.014
RMSD bond angle	1.750
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.050	2.580
High resolution limit [Å]	2.491	2.491
Rmerge	0.101	0.620
Rmeas	0.112	0.689
Rpim	0.048	0.291
Number of reflections	6110	578
<I/σ(I)>	9.79	2.03
Completeness [%]	99.1	93.21
Redundancy	5.3	5.1
CC(1/2)	0.996	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	200 mM ammonium sulfate, 20% w/v PEG 4000