7BDX

Armadillo domain of HSF2BP in complex with BRCA2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	52.887, 135.830, 75.794
Unit cell angles	90.00, 110.38, 90.00

Refinement procedure

Resolution	49.580 - 2.600
R-factor	0.1997
Rwork	0.198
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	H3 domain from Robetta
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3 (19-MAR-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.158
Rpim	0.062
Number of reflections	30850	930
<I/σ(I)>	9.4
Completeness [%]	83.7
Redundancy	7.4
CC(1/2)	0.998	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	PEG 3350 : 16% (w/v) Mes ph 6.0 100 mM MgCl2 100 mM