3UT1

Crystal structure of the 3-MBT repeat domain of L3MBTL3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9179
Spacegroup name	C 1 2 1
Unit cell lengths	92.287, 70.619, 58.574
Unit cell angles	90.00, 119.95, 90.00

Refinement procedure

Resolution	44.761 - 2.050
R-factor	0.224
Rwork	0.222
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	based on unpublished model of L3MBTL1 itself based on molecular replacement with coordinates from PDB entry 1OYX
RMSD bond length	0.011
RMSD bond angle	1.309
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.130	0.057	0.859
Number of reflections	20483
<I/σ(I)>	6.1
Completeness [%]	99.9	99.8	99.5
Redundancy	5.4	5.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	291	27% PEG-3350, 0.1M ammonium sulfate, 0.2M cobaltous chloride, 0.1M Bis-tris, pH 5.5, vapor diffusion, temperature 291K