5C0M

Crystal structure of SGF29 tandem tudor domain in complex with a Carba containing peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-18
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	50.109, 65.193, 105.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.170 - 1.600
R-factor	0.205
Rwork	0.204
R-free	0.23910
Starting model (for MR)	3me9
RMSD bond length	0.009
RMSD bond angle	1.384
Data reduction software	XDS
Data scaling software	Aimless (0.5.7)
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.170	37.170	1.630
High resolution limit [Å]	1.600	8.770	1.600
Rmerge	0.073	0.030	0.775
Rpim	0.030	0.013	0.320
Total number of observations	308623	1896	13706
Number of reflections	45670
<I/σ(I)>	17.6	45.9	2.6
Completeness [%]	99.1	98.2	92.1
Redundancy	6.8	5.6	6.6
CC(1/2)	0.999	0.999	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG3350, 0.1 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5