6FXA

Dimerization domain of TP901-1 CI repressor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	43.840, 42.560, 101.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.225 - 1.500
R-factor	0.1481
Rwork	0.145
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.225	40.225	1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.175	0.042	0.791
Rmeas	0.183	0.044	0.828
Number of reflections	31189	430	2226
<I/σ(I)>	15.22	55.09	2.74
Completeness [%]	99.9	99.5	98.7
Redundancy	11.95	10.009	11.289
CC(1/2)	0.998	1.000	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.2 M lithium sulfate, 0.1 M sodium acetate