7I9C

Crystal Structure of 30 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	2023-05-19
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9188
Spacegroup name	P 1 21 1
Unit cell lengths	68.150, 66.364, 79.624
Unit cell angles	90.00, 100.95, 90.00

Refinement procedure

Resolution	22.300 - 1.939
R-factor	0.3057
Rwork	0.304
R-free	0.34400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
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]	56.400	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.176	3.185
Rmeas	0.192	3.487
Rpim	0.074	1.398
Total number of observations	362968	16508
Number of reflections	53350	2635
<I/σ(I)>	6.3	0.2
Completeness [%]	99.8
Redundancy	6.8	6.3
CC(1/2)	0.980	0.250

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