2QI8

Crystal structure of drug resistant SRC kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5417
Spacegroup name	P 1
Unit cell lengths	42.000, 63.020, 73.950
Unit cell angles	78.78, 88.80, 90.14

Refinement procedure

Resolution	72.548 - 2.320
R-factor	0.209
Rwork	0.205
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.782
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.548	43.070	2.450
High resolution limit [Å]	2.320	7.340	2.320
Rmerge	0.075	0.027	0.370
Total number of observations		2146	9302
Number of reflections	30194
<I/σ(I)>	7.3	19.3	2.1
Completeness [%]	93.8	96.4	91.6
Redundancy	2.2	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	19% Ethylene glycol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K