7LJN

Structure of the Bradyrhizobium diazoefficiens CD-NTase CdnG in complex with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-02-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	111.996, 68.687, 112.432
Unit cell angles	90.00, 108.41, 90.00

Refinement procedure

Resolution	37.940 - 1.600
R-factor	0.1974
Rwork	0.197
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model of the selenomethionine substituted protein determined using SAD phasing
RMSD bond length	0.006
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.940	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.045	0.326
Number of reflections	212025	9553
<I/σ(I)>	9.1	2.7
Completeness [%]	99.0
Redundancy	3.4
CC(1/2)	0.995	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.032 M Sodium Citrate pH 7.0, 0.1 M HEPES pH 7.0, 10% w/v PEG-5000 MME