9F01

Complex between D-SH2 domain of ABL with monobody 'DAM21

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	76.637, 62.290, 116.664
Unit cell angles	90.00, 98.06, 90.00

Refinement procedure

Resolution	48.150 - 2.730
R-factor	0.2233
Rwork	0.222
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.172
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.150	48.150	2.810
High resolution limit [Å]	2.727	7.831	2.727
Rmerge	0.146	0.068	0.810
Rmeas	0.171	0.080	0.968
Rpim	0.087	0.041	0.520
Number of reflections	25843	1291	1293
<I/σ(I)>	6.9	12.1	2.2
Completeness [%]	87.9	99.1	51.1
Redundancy	3.6	3.4	2.3
CC(1/2)	0.987	0.993	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.16 M ammonium sulfate, 0.08 M sodium acetate pH 4.6, 20 % (w/v) PEG 4000, 20 % (v/v) Glycerol