5VFF

Synaptotagmin 1 C2B domain, lead-bound (low occupancy)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-05-10
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	40.634, 41.117, 82.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.483 - 1.413
R-factor	0.1577
Rwork	0.155
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uow
RMSD bond length	0.006
RMSD bond angle	0.887
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.430	1.490
High resolution limit [Å]	1.410	1.410
Rpim	0.023	0.266
Number of reflections	27034	3733
<I/σ(I)>	22.7	2.9
Completeness [%]	99.0	95.9
Redundancy	6.6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M sodium fluoride, 20% PEG 3350