2CPG

TRANSCRIPTIONAL REPRESSOR COPG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	67.190, 102.490, 40.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.600
R-factor	0.2017
R-free	0.27720
Structure solution method	MIRAS
RMSD bond length	0.009
RMSD bond angle	0.025
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CCP4
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.610	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.080	0.126
Total number of observations	91693 *
Number of reflections	18358 *
<I/σ(I)>	10.3	3
Completeness [%]	98.1	96.4
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	20 *	Gomis-Rueth, F.X., (1998) FEBS Lett., 425, 161. *
1	Vapor diffusion, sitting drop *	7.5 *	20 *	Gomis-Rueth, F.X., (1998) FEBS Lett., 425, 161. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	BENZAMIDINE
2	1	1	MPD
3	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13-16 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir		275 (mM)
4	1	reservoir		0.5 (mM)