6KSU

Crystal structure of SurE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.738, 150.370, 64.771
Unit cell angles	90.00, 110.71, 90.00

Refinement procedure

Resolution	46.525 - 2.200
R-factor	0.214
Rwork	0.212
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	selenomethionine-labeled SurE
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.180	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.119	0.628
Number of reflections	44668	3901
<I/σ(I)>	6.4	1.6
Completeness [%]	99.2
Redundancy	3.1
CC(1/2)	0.990	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	ammonium sulfate, Ytterium, TCEP