7Q91

Crystal Structure of Agrobacterium tumefaciens NADQ, native form.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97624
Spacegroup name	P 1 21 1
Unit cell lengths	58.308, 133.339, 86.863
Unit cell angles	90.00, 100.10, 90.00

Refinement procedure

Resolution	44.210 - 2.310
R-factor	0.1994
Rwork	0.199
R-free	0.24510
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	0.538
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]	44.960	2.393
High resolution limit [Å]	2.310	2.310
Rmerge	0.057	0.472
Rmeas	0.081	0.667
Number of reflections	57031	5677
<I/σ(I)>	9.34	1.71
Completeness [%]	99.6	99.49
Redundancy	1.9	1.9
CC(1/2)	0.996	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	reservoir 150 mM di-Sodium DL-malate, pH 7.0, 20% (w/v) PEG 3350.