8FLG

Bruton's tyrosine kinase in complex with an orthosteric inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-04-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	71.241, 104.240, 38.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.230 - 2.200
R-factor	0.198
Rwork	0.195
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.917
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.200	2.200
Rmeas	0.070	0.171
Number of reflections	14214	2485
<I/σ(I)>	18
Completeness [%]	94.5
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	bis-tris, ammonium salt, PEG