5B4W

Crystal structure of Plexin inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-03
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	92.426, 217.924, 106.475
Unit cell angles	90.00, 115.30, 90.00

Refinement procedure

Resolution	40.805 - 2.600
R-factor	0.2266
Rwork	0.225
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ol2
RMSD bond length	0.007
RMSD bond angle	1.014
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX ((dev_2341: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.150	0.737
Number of reflections	116573
<I/σ(I)>	10	1.21
Completeness [%]	97.2	88.7
Redundancy	3	2.3
CC(1/2)	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	0.1M tri-sodium citrate, 13% PEG 8000