8FLV

Bruton's tyrosine kinase in complex with compound 34

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	2011-08-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	71.444, 104.846, 37.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.520 - 1.300
R-factor	0.1954
Rwork	0.194
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.360
High resolution limit [Å]	1.300	1.300
Rmerge	0.123	1.687
Number of reflections	58604	2179
<I/σ(I)>	6.2
Completeness [%]	80.6
Redundancy	5.4

Crystallization Conditions

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