8Z6C

Crystal structure of HDGFRP2 PWWP domain in complex with 4-(4-bromo-1H-pyrazol-3-yl) pyridine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	42.140, 42.371, 159.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.400 - 1.930
R-factor	0.1912
Rwork	0.189
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.939
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.370	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.115	0.906
Number of reflections	21227	1428
<I/σ(I)>	14.2	2.9
Completeness [%]	95.1	100
Redundancy	12.6
CC(1/2)	0.997	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.01 M magnesium sulfate heptahydrate, 0.05 M sodium cacodylate trihydrate (pH 6.5), 2 M ammonium sulfate