1N5O

Structural consequences of a cancer-causing BRCA1-BRCT missense mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-08
Detector	SBC-2
Wavelength(s)	1.0093
Spacegroup name	P 61 2 2
Unit cell lengths	114.535, 114.535, 121.527
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.27538
Rwork	0.274
R-free	0.29800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jnx
RMSD bond length	0.013
RMSD bond angle	1.857
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Rmerge	0.068 *	0.404 *
Total number of observations	100697 *
Number of reflections	12024
Completeness [%]	99.3 *	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	ammonium sulphate, cobalt chloride, MES, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ammonium sulfate	1.4 (M)
3	1	reservoir	MES	100 (mM)	pH6.7
4	1	reservoir		10 (mM)