2HZN

Abl kinase domain in complex with NVP-AFG210

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	94
Detector technology	CCD
Collection date	2002-04-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.8602
Spacegroup name	I 41 2 2
Unit cell lengths	105.431, 105.431, 110.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.000 - 2.700
R-factor	0.267
Rwork	0.264
R-free	0.31400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 2HYY
RMSD bond length	0.010
RMSD bond angle	1.160
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.038	0.028	0.457
Number of reflections	8868
<I/σ(I)>	13.6
Completeness [%]	99.9	98.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL		277	16 % PEG 8000, 0.1 M NaCacodylate pH 6.2, 0.2 M MgAcetate, MICROBATCH UNDER OIL, temperature 277K