6Y8P

Crystal structure of SNAP-tag labeled with a benzyl-tetramethylrhodamine fluorophore

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	65.515, 65.515, 97.067
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.980 - 2.300
R-factor	0.2374
Rwork	0.236
R-free	0.27670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l00
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	11154	1087
<I/σ(I)>	15
Completeness [%]	99.9
Redundancy	10.7
CC(1/2)	0.999	0.193

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	100 mM Na HEPES pH 7.5 25% PEG 8000 10 mg/mL protein 100 nl:100 nL