7F9H

complex structure of EnrR-DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97928
Spacegroup name	C 1 2 1
Unit cell lengths	104.228, 58.490, 67.569
Unit cell angles	90.00, 98.37, 90.00

Refinement procedure

Resolution	29.630 - 1.780
R-factor	0.2017
Rwork	0.201
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.309
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.840
High resolution limit [Å]	1.750	3.340	1.750
Rmerge	0.054	0.036	0.383
Rmeas	0.058	0.039	0.418
Rpim	0.022	0.015	0.166
Total number of observations	259037
Number of reflections	38808	5907	3881
<I/σ(I)>	9
Completeness [%]	66.8	99.3	67
Redundancy	6.7	6.9	6
CC(1/2)		0.991	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3350 and potassium sulfate