4Y21

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	2011-11-09
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	50.000 - 2.900
R-factor	0.2184
Rwork	0.217
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3swh
RMSD bond length	0.005
RMSD bond angle	1.335
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.900
Number of reflections	34107
<I/σ(I)>	27.3
Completeness [%]	99.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	277	PEG 3350, Mg(NO3)2, MES