7E44

Crystal structure of NudC complexed with dpCoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	60.837, 61.651, 93.893
Unit cell angles	97.24, 100.39, 111.14

Refinement procedure

Resolution	90.330 - 2.000
R-factor	0.2347
Rwork	0.234
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5isy
RMSD bond length	0.014
RMSD bond angle	1.407
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.330	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.051	0.101
Rmeas	0.072	0.143
Rpim	0.051	0.101
Number of reflections	80253	5889
<I/σ(I)>	7.5	4.2
Completeness [%]	97.0
Redundancy	1.8
CC(1/2)	0.980	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	PEG 3350, Ammonium succinate