2J3W

The crystal structure of the bet3-trs31-sedlin complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	103
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	232.211, 63.063, 72.018
Unit cell angles	90.00, 91.72, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.2296
Rwork	0.230
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.152
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.100	2.100
Rmerge	0.070
Number of reflections	57111
<I/σ(I)>	29	4.2
Completeness [%]	93.0	73.4
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		20% (W/V) PEG3350, 0.2 M MGCL2, 2% (W/V) BENZAMIDINE AND 0.1 M TRIS HCL (PH 8.0)