7I9B

Crystal Structure of 32 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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	67.997, 66.035, 79.691
Unit cell angles	90.00, 100.81, 90.00

Refinement procedure

Resolution	56.290 - 2.769
R-factor	0.2476
Rwork	0.243
R-free	0.33120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
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]	56.290	2.820
High resolution limit [Å]	2.770	2.770
Rmerge	0.263	2.505
Rmeas	0.284	2.714
Rpim	0.107	1.035
Total number of observations	124445	6027
Number of reflections	17891	879
<I/σ(I)>	6.5	0.5
Completeness [%]	100.0
Redundancy	7	6.9
CC(1/2)	0.990	0.281

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