4Y18

Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 21 21 21
Unit cell lengths	86.819, 183.726, 190.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.255 - 3.500
R-factor	0.2355
Rwork	0.233
R-free	0.29750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t15
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.300	3.690
High resolution limit [Å]	3.500	3.500
Rmerge	0.096	0.701
Number of reflections	39170
<I/σ(I)>	16.4	2.9
Completeness [%]	99.8	99.2
Redundancy	7.4	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	HEPES, Ammonium Sulphate, PEG 4000.