9F00

Complex between D-SH2 domain of ABL with monobody DAM27

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-03
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.873130
Spacegroup name	P 65 2 2
Unit cell lengths	111.326, 111.326, 205.749
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.960 - 2.910
R-factor	0.2117
Rwork	0.209
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.343
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.960	48.960	3.080
High resolution limit [Å]	2.900	8.710	2.900
Rmerge	0.249	0.048	3.783
Rmeas	0.258	0.050	3.913
Rpim	0.065	0.013	0.995
Number of reflections	17398	766	2744
<I/σ(I)>	13	51.3	1.2
Completeness [%]	100.0	99.6	99.9
Redundancy	28.1	23	28.7
CC(1/2)	0.999	1.000	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.8 M tri-Sodium citrate, pH 6.5