10GA

Crystal Structure of Human Fgr SH3-SH2-High Affinity Linker Mutant 3 (HAL3) Domains.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-28
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	44.613, 34.907, 61.315
Unit cell angles	90.00, 101.52, 90.00

Refinement procedure

Resolution	60.080 - 1.600
Rwork	0.169
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.966
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.080	60.080	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.130	0.054	2.126
Rmeas	0.136	0.056	2.261
Rpim	0.038	0.016	0.749
Number of reflections	24665	171	1143
<I/σ(I)>	13.9	33.6	2.3
Completeness [%]	99.7	99.6	95.9
Redundancy	12.3	12.4	8.6
CC(1/2)	0.999	0.999	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298.15	0.2 M sodium chloride, 0.1 M Bis-Tris, pH 5.5, 25% w/v PEG 3350