2AK5

beta PIX-SH3 complexed with a Cbl-b peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 32 2 1
Unit cell lengths	69.338, 69.338, 58.113
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.170 - 1.850
R-factor	0.2202
Rwork	0.227
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sem
RMSD bond length	0.000
RMSD bond angle	1.040
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.170	1.930
High resolution limit [Å]	1.850	1.850
Number of reflections	14106
<I/σ(I)>	31.8
Completeness [%]	99.5	98.1
Redundancy	2.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	291	PEG 3000, SODIUM CITRATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 6.50