7UVE

Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-23
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	I 2 2 2
Unit cell lengths	61.269, 111.134, 112.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.060 - 2.300
R-factor	0.249
Rwork	0.246
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bhh
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.096	0.034	0.880
Rmeas	0.100	0.035	0.932
Rpim	0.028	0.010	0.295
Total number of observations	202427
Number of reflections	16672	947	622
<I/σ(I)>	11.6
Completeness [%]	96.1	99.2	72.7
Redundancy	12.1	11.7	8.6
CC(1/2)		1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	15% PEG 8000, 0.2M Magnesium Chloride,0.1M tris pH8.5