4ZLY

Crystal Structure of Bruton's Tyrosine Kinase bound to a Cinnoline Fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	72.864, 104.458, 38.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.650
R-factor	0.1647
Rwork	0.163
R-free	0.19650
RMSD bond length	0.009
RMSD bond angle	1.297
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.650
Number of reflections	33742
<I/σ(I)>	10.33
Completeness [%]	98.5
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	10% polyethylene glycol 4000, 20% glycerol, 0.1M imidazole/MES, pH 6.5, 0.12M alcohol mixture