6BKE

BTK complex with compound 10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	110
Detector technology	CCD
Collection date	2010-01-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	108.198, 108.198, 41.942
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.147 - 1.950
R-factor	0.1945
Rwork	0.188
R-free	0.21000
RMSD bond length	0.005
RMSD bond angle	0.820
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.132	0.053	0.743
Rmeas	0.144	0.058	0.830
Rpim	0.057	0.022	0.365
Number of reflections	20690	1097	1007
<I/σ(I)>	6.5
Completeness [%]	99.8	99.8	99.5
Redundancy	6	6.6	5
CC(1/2)		0.998	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	30% PEG 300, Li2SO4, pH 7.0