5OS9

Structure of the B3 DNA-Binding Domain of NGA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	30.758, 151.179, 47.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.590 - 1.800
R-factor	0.1529
Rwork	0.148
R-free	0.19480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lduA
RMSD bond length	0.019
RMSD bond angle	1.530
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MoRDa (1.3.02)
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.590	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.019	0.106
Number of reflections	39391	2062
<I/σ(I)>	21.81	6.85
Completeness [%]	99.2	98
Redundancy	2	2
CC(1/2)	0.999	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Reservoir solution: 0.1 M HEPES-NaOH pH 7.5, 0.2 M potassium sodium tartrate, 1.6 M potassium-sodium phosphate, 5% PEG 4000. Protein concentration: 7.1 mg/ml. Drop: 0.4 microL protein solution + 0.2 microL reservoir solution.