5GNJ

Structure of a transcription factor and DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	77.100, 79.700, 102.800
Unit cell angles	90.00, 105.00, 90.00

Refinement procedure

Resolution	49.649 - 2.700
R-factor	0.2091
Rwork	0.206
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.650		2.700
High resolution limit [Å]	2.660	30.000	2.660
Rmerge	0.053	0.031	0.563
Number of reflections	32765
<I/σ(I)>	13.02	15.73	1.51
Completeness [%]	94.1	15.6	61.5
Redundancy	2.4
CC(1/2)	0.998		0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 M Calcium chloride dihydrate, 0.1 M Sodium acetate trihydrate pH 4.6, 20% v/v 2-Propanol