6L03

structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2019-03-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 21 21 2
Unit cell lengths	71.048, 84.074, 48.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.266 - 2.084
R-factor	0.2113
Rwork	0.210
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4icz
RMSD bond length	0.008
RMSD bond angle	0.968
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.300	2.200
High resolution limit [Å]	2.080	2.080
Rmerge	0.191	0.927
Number of reflections	18019	1773
<I/σ(I)>	6.5
Completeness [%]	99.8
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 4000, 0.2M KSCN, 10% ethelene glycol, 0.1M bis-tris propane