8U8L

X-ray crystal structure of TEBP-2 MCD3 with ds DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-19
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.12723
Spacegroup name	P 21 21 21
Unit cell lengths	37.050, 116.480, 118.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.980 - 2.200
R-factor	0.2022
Rwork	0.201
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.653
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.230	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.107	0.918
Number of reflections	50213	2738
<I/σ(I)>	14.7	3
Completeness [%]	99.6	99.4
Redundancy	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	TEBP-2 MCD3 DNA + 100 mM MES, pH 6.5, 21% PEG8000, 50 mM sodium chloride, 100 mM cesium chloride, sitting drop, 16 degrees C, cryoprotectant: 20% glycerol