3UWN

The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Detector technology	CCD
Collection date	2011-09-28
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	85.774, 94.530, 58.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 2.150
R-factor	0.2327
Rwork	0.231
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oyx
RMSD bond length	0.013
RMSD bond angle	1.334
Data reduction software	XDS
Data scaling software	SCALA (CCP4_3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.580	29.580	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge	0.112	0.020	0.900
Total number of observations		5881	20941
Number of reflections	26687
<I/σ(I)>	15.0444
Completeness [%]	99.8	98.32	99.29
Redundancy	6.49	6.3	5.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG-3350, 0.1 M ammonium sulfate, 0.1 M bis-tris. Crystal was soaked for 2 days in a 0.001 M solution of the ligand., pH 5.5, vapor diffusion, sitting drop, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	25% PEG-3350, 0.1 M ammonium sulfate, 0.1 M bis-tris. Crystal was soaked for 2 days in a 0.001 M solution of the ligand., pH 5.5, vapor diffusion, sitting drop, temperature 291K