8A50

Crystal structure of HSF2BP-ALPHA1 tetramer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	P 41 3 2
Unit cell lengths	79.810, 79.810, 79.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.430 - 1.484
R-factor	0.2129
Rwork	0.213
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2 model
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS (Jan 10, 2022 BUILT=20220110)
Data scaling software	STARANISO (2.3.77)
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.430	1.520
High resolution limit [Å]	1.480	1.480
Rmerge	0.050	1.393
Rmeas	0.054	1.506
Rpim	0.021	0.565
Number of reflections	15006	1084
<I/σ(I)>	15	1.2
Completeness [%]	99.8	99.9
Redundancy	6.6	6.8
CC(1/2)	0.999	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M LiCl 0.1 M sodium acetate trihydrate pH 5 20% PEG6000