3P8H

Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97911
Spacegroup name	P 32
Unit cell lengths	106.264, 106.264, 90.144
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.770 - 2.550
R-factor	0.194
Rwork	0.191
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rjc
RMSD bond length	0.010
RMSD bond angle	1.177
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.6.0081)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.118	0.050	0.533
Number of reflections	37137
<I/σ(I)>	7
Completeness [%]	100.0	100	100
Redundancy	3	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	25% PEG3350, 0.1M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K