8PM7

transcription factor BARHL2 bound to TAATC DNA sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	39.627, 123.807, 62.713
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	44.050 - 1.700
R-factor	0.2084
Rwork	0.207
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.481
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.050	44.010	1.730
High resolution limit [Å]	1.700	8.980	1.700
Rmerge	0.057	0.031	2.133
Rmeas	0.066	0.036	2.571
Rpim	0.034	0.019	1.411
Total number of observations		1604	9309
Number of reflections	65847	454	3163
<I/σ(I)>	9.5	35.3	0.5
Completeness [%]	99.1	96.4	88.9
Redundancy	3.8	3.5	2.9
CC(1/2)	0.999	0.997	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	PEG 4000, sodium malonate, sodium acetate