4CCA

Structure of human Munc18-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-05-04
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	67.550, 67.550, 284.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.765 - 2.600
R-factor	0.2441
Rwork	0.242
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c98 CHAIN A
RMSD bond length	0.003
RMSD bond angle	0.798
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.100	0.970
Number of reflections	21395
<I/σ(I)>	13.9	2.7
Completeness [%]	100.0	100
Redundancy	11.4	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	SITTING DROPS CONTAINING 200 NL 8.85 MG/ML MUNC18-2 PLUS 200 NL RESERVOIR SOLUTION (0.1 M MES PH 6, 10% V/V 2-METHYL-2,4-PENTANEDIOL) EQUILIBRATED AGAINST 80 UL RESERVOIRS AT 20C.