9VDH

BTK in apo form adpoting a new conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978610
Spacegroup name	P 21 21 2
Unit cell lengths	72.808, 105.244, 37.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.690 - 1.980
R-factor	0.19881
Rwork	0.197
R-free	0.23682
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.663
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.876	2.012
High resolution limit [Å]	1.978	1.978
Number of reflections	17496	420
<I/σ(I)>	14.9
Completeness [%]	82.8
Redundancy	10.8
CC(1/2)	0.998	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M imidazole/MES, pH 6.5, 9.8% PEG4000, 28.6% glycerol, 0.12 M alcohol mixture