2HZI

Abl kinase domain in complex with PD180970

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.934
Spacegroup name	P 21 21 2
Unit cell lengths	106.475, 131.533, 56.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.650 - 1.700
R-factor	0.17692
Rwork	0.175
R-free	0.20431
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.018
RMSD bond angle	1.685
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.758	34.270	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.070	0.034	0.424
Total number of observations		11729	61918
Number of reflections	87524
<I/σ(I)>	8.3	18.6	1.7
Completeness [%]	99.5	91	100
Redundancy	4.8	4.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.9 M NaAcetate, 0.1 M NaCacodylate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K