3T04

Crystal structure of monobody 7c12/abl1 sh2 domain complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-05
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	39.336, 49.396, 107.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.193
Rwork	0.190
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1OPK: 154-235 1FNF: LOOPS OMITTED
RMSD bond length	0.013
RMSD bond angle	1.378
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	12700
<I/σ(I)>	11.8	2.4
Completeness [%]	99.2	99.3
Redundancy	5.2	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		0.2M MG(NO3)2, 100MM LICL, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292K, pH 6.0