1PCG

Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-21
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	53.809, 102.432, 195.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.700
Rwork	0.219
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	19.200 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX (2000.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.990	2.870
High resolution limit [Å]	2.700	2.700
Rmerge	0.114 *
Number of reflections	14252
Completeness [%]	95.0 *	82.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7 *	294	MES, LiCl, PEG 6000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	HEPES	20 (mM)	pH7.0
3	1	drop		100 (mM)
4	1	reservoir	MES	0.1 (M)	pH6.8
5	1	reservoir		1 (M)
6	1	reservoir	PEG6000	7-15 (%)