3Q3J

Crystal structure of plexin A2 RBD in complex with Rnd1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98322
Spacegroup name	I 2 2 2
Unit cell lengths	59.022, 67.129, 145.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.276 - 1.971
R-factor	0.213
Rwork	0.211
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 2REX 3ig3
RMSD bond length	0.013
RMSD bond angle	1.195
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.000
High resolution limit [Å]	1.970	5.340	1.970
Rmerge	0.070	0.035	0.964
Number of reflections	20734
<I/σ(I)>	11.7
Completeness [%]	99.9	99	100
Redundancy	7.2	6.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, sitting drops	7.5	293	The complex sample (2.7 mg/mL) was incubated with 5mM Gpp(NH)p. Crystallization cocktail: 25.5% PEG3350, 0.2 M magnesium chloride, 0.1M Hepes. Seeding was applied in the production of the diffraction-quality crystal., pH 7.5, vapor diffusion, sitting drops, temperature 293K