7I95

Crystal Structure of 25 bound to the PH domain of Btk

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	67.961, 66.108, 79.632
Unit cell angles	90.00, 100.97, 90.00

Refinement procedure

Resolution	56.320 - 1.991
R-factor	0.2567
Rwork	0.254
R-free	0.31570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.320	2.020
High resolution limit [Å]	1.990	1.990
Rmerge	0.152	3.648
Rmeas	0.164	3.936
Rpim	0.062	1.469
Total number of observations	332943	16493
Number of reflections	47744	2319
<I/σ(I)>	6.7	0.3
Completeness [%]	100.0
Redundancy	7	7.1
CC(1/2)	0.997	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M TRIS, 32.5% w/v PEG 3350, 200mM MgCl2