5UND

Crystal Structure of CTCF(ZnF 4-10) With 28-mer DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-23
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	75.072, 73.825, 93.289
Unit cell angles	90.00, 91.38, 90.00

Refinement procedure

Resolution	34.613 - 2.549
R-factor	0.2124
Rwork	0.211
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kkq
RMSD bond length	0.004
RMSD bond angle	0.440
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.600	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.101	0.986
Rpim	0.044	0.458
Number of reflections	33435	3301
<I/σ(I)>	14.9	1.4
Completeness [%]	99.8	98.7
Redundancy	6.3	5.4
CC(1/2)	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	28% PEG 2000 MME 100mM Bis-Tris, pH 6.5