5UF7

CRYSTAL STRUCTURE OF MUNC13-1 MUN 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	2011-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	114.062, 270.921, 47.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.018 - 2.896
R-factor	0.2296
Rwork	0.228
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3swh
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.018	2.950
High resolution limit [Å]	2.896	2.896
Rmerge	0.069	0.634
Number of reflections	34107
<I/σ(I)>	27.3	1.95
Completeness [%]	99.3	98.7
Redundancy	5.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M Mg(NO3)2, 0.1 M MES pH 5.8 - 6.3, 0.15 M NaCl, 18-25% PEG 3350, 10% glycerol, 5 mM DTT, 30% ethylene glycol