8FLH

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	2010-04-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	71.974, 104.724, 38.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.780 - 1.550
R-factor	0.1972
Rwork	0.196
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.918
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.550	1.550
Rmeas	0.066	0.357
Number of reflections	41951	21320
<I/σ(I)>	12.4
Completeness [%]	98.1
Redundancy	4.1

Crystallization Conditions

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