7DCN

Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	42.916, 36.827, 48.670
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	32.793 - 1.695
R-factor	0.1716
Rwork	0.168
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dcm
RMSD bond length	0.006
RMSD bond angle	0.798
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.793	1.756
High resolution limit [Å]	1.695	1.695
Number of reflections	17060	7447
<I/σ(I)>	13.15
Completeness [%]	99.7
Redundancy	5.2
CC(1/2)	0.996	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.15M (NH4)2SO4, 0.1M MES, pH 5.5, 20% (w/v) PEG 4000, 8% (v/v) 1,3-Butanediol