7Q92

Crystal Structure of Agrobacterium tumefaciens NADQ, ATP complex.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 1 21 1
Unit cell lengths	57.920, 132.570, 86.850
Unit cell angles	90.00, 100.16, 90.00

Refinement procedure

Resolution	51.840 - 2.180
R-factor	0.2318
Rwork	0.230
R-free	0.26940
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	native form
RMSD bond length	0.002
RMSD bond angle	0.432
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.840	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.105	0.887
Rmeas	0.114	0.964
Number of reflections	66672	3335
<I/σ(I)>	12.6	2.1
Completeness [%]	99.5	99.5
Redundancy	6.5	6.5
CC(1/2)	0.998	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	100 mM Bis-tris-propane, pH 7.0, 250 mM sodium potassium tartrate, 24 % (w/v) PEG 3400