5MHJ

ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	127.254, 39.084, 90.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.220 - 2.117
R-factor	0.1988
Rwork	0.197
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ICP4N-19mer complex
RMSD bond length	0.002
RMSD bond angle	0.466
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.220	2.193
High resolution limit [Å]	2.117	2.117
Rmerge	0.116	0.771
Number of reflections	25175
<I/σ(I)>	9.49	2.2
Completeness [%]	94.8
Redundancy	6.4	6.6
CC(1/2)		0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M Sodium acetate trihydrate, 0.1 M Sodium HEPES, pH 7.5, 25% w/v PEG 3350 [SG1 HT96 F2 Molecular Dimensions] cryoprotected with Perfluoropolyether Cryo Oil