9OFX

Crystal structure of c-Src SH3 domain in H32 space group mediated by nickel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979315
Spacegroup name	H 3 2
Unit cell lengths	63.770, 63.770, 271.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.890 - 1.450
R-factor	0.1642
Rwork	0.163
R-free	0.19610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.950	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.086	3.467
Rmeas	0.087	3.505
Rpim	0.012	0.509
Total number of observations		90146
Number of reflections	73036	1925
<I/σ(I)>	22.9	1.8
Completeness [%]	100.0
Redundancy	52.6	46.8
CC(1/2)	1.000	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.7 M Ammonium Sulfate, 5 mM NiCl2, 10% glycerol, 0.1 M HEPES pH 7.5