1JNX

Crystal structure of the BRCT repeat region from the breast cancer associated protein, BRCA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-04
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	114.844, 114.844, 122.111
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.262
Rwork	0.259
R-free	0.30200
Structure solution method	MAD
RMSD bond length	0.017 *
RMSD bond angle	1.810 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.570
High resolution limit [Å]	2.500	2.500
Rmerge	0.048 *	0.292 *
Total number of observations	209566 *
Number of reflections	16968
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	20-23 *	Lithium sulphate, Nickel sulphate, calcium chloride, Tris, pH 8.5,VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)
2	1	reservoir		0.8 (M)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.5
4	1	reservoir		2.5 (mM)
5	1	reservoir		5 (mM)