5UE8

The crystal structure of Munc13-1 C1C2BMUN domain

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	2012-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97931
Spacegroup name	C 1 2 1
Unit cell lengths	176.145, 86.351, 202.142
Unit cell angles	90.00, 115.54, 90.00

Refinement procedure

Resolution	45.598 - 3.350
R-factor	0.2542
Rwork	0.252
R-free	0.29000
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.610
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.410
High resolution limit [Å]	3.350	9.080	3.350
Rmerge	0.056	0.016	0.692
Rmeas	0.064	0.019	0.798
Rpim	0.031	0.009	0.388
Total number of observations	147746
Number of reflections	37636
<I/σ(I)>	9.9
Completeness [%]	93.9	95.6	68.9
Redundancy	3.9	3.8	3.3
CC(1/2)		0.998	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M LiCl, 0.1 M Tris-HCl pH 8.0, 0.15 M NaCl, 12% PEG 10,000, 10% glycerol, 5 mM TCEP, 25% ethylene glycol