8OO2

ChdA complex with amido-chelocardin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.779
Spacegroup name	P 21 21 21
Unit cell lengths	44.580, 82.780, 99.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.780 - 1.850
R-factor	0.1761
Rwork	0.174
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	0.927
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.780	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.058	0.322
Rmeas	0.062
Number of reflections	32227	2213
<I/σ(I)>	24.5
Completeness [%]	99.5
Redundancy	11.8
CC(1/2)	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	16% (w/v) PEG 8000, 0.2 M sodium acetate and 0.1 M sodium cacodylate pH 6.5