6WIM

CdiB from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	90
Detector technology	PIXEL
Collection date	2018-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 2
Unit cell lengths	112.953, 183.379, 45.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.600
R-factor	0.2486
Rwork	0.248
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wil
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.100	1.300
Number of reflections	29889	3597
<I/σ(I)>	13.9	2
Completeness [%]	99.9	100
Redundancy	13	13.5
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	100mM Gly-Gly AMPD pH 8.5 4mM Alkalis (1mM RbCl, 1mM SrAc, 1mM CeAc,1mM BaAc) 12.5% PEG 4000 20% 1,2,6-hexanetriol