4JGW

The conformation of a docking site for SH3 domains is pre-selected in the Guanine Nucleotide Exchange Factor Rlf

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	70.930, 75.620, 101.330
Unit cell angles	90.00, 98.15, 90.00

Refinement procedure

Resolution	30.980 - 2.300
R-factor	0.25337
Rwork	0.252
R-free	0.28793
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qxl 2ije
RMSD bond length	0.006
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	46676
<I/σ(I)>	24.3	3.44
Completeness [%]	98.6	98.7
Redundancy	4.73	3.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1M Bis-Tris propane, 0.2M NaNO3, 12% PEG 3350 , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K