7I98

Crystal Structure of 10 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	2022-07-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	68.978, 66.556, 79.463
Unit cell angles	90.00, 101.69, 90.00

Refinement procedure

Resolution	30.120 - 2.070
R-factor	0.2518
Rwork	0.249
R-free	0.30310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.020
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]	57.050	2.110
High resolution limit [Å]	2.070	2.070
Rmerge	0.122	2.466
Rmeas	0.137	2.791
Rpim	0.061	1.284
Total number of observations	215394	10032
Number of reflections	43163	2112
<I/σ(I)>	10.9	0.5
Completeness [%]	100.0
Redundancy	5	4.8
CC(1/2)	0.993	0.236

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