7Q94

Crystal Structure of Agrobacterium tumefaciens NADQ, DNA complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 65
Unit cell lengths	104.269, 104.269, 152.149
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.650 - 4.300
R-factor	0.2562
Rwork	0.254
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native monomer
RMSD bond length	0.002
RMSD bond angle	0.442
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.650	4.455
High resolution limit [Å]	4.300	4.300
Rmerge	0.081	0.783
Rmeas	0.114
Number of reflections	6399	627
<I/σ(I)>	7.14	1.2
Completeness [%]	99.6
Redundancy	2	2
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	100 mM HEPES, mM lithium chloride, 28% (w/v) PEG 6000