4YGX

Crystal Structure of D. melanogaster Ssu72+Symplekin bound to cis peptidomimetic CTD phospho-Ser5 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	P 4
Unit cell lengths	127.880, 127.880, 105.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.950
R-factor	0.2081
Rwork	0.206
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.741
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.104	0.034	0.899
Total number of observations	245848
Number of reflections	35810
<I/σ(I)>	8.2
Completeness [%]	99.2	99.7	96.2
Redundancy	6.9	7.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Optimized Ssu72-symplekin crystals were obtained with reservoir solution consisting of 12% PEG3350 (w/v) and 100 mM HEPE. To obtain the tertiary complex structure of Drosophila Ssu72-symplekin-Cis-locked peptide, crystals of Ssu72-symplekin were soaked in a mother solution containing 2 mM 11mer peptide overnight at room temperature