7GQT

Crystal Structure of Werner helicase fragment 517-945 in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.99997
Spacegroup name	P 1 21 1
Unit cell lengths	50.227, 90.227, 54.002
Unit cell angles	90.00, 102.82, 90.00

Refinement procedure

Resolution	52.660 - 2.210
R-factor	0.2078
Rwork	0.205
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_4357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.660	52.660	2.270
High resolution limit [Å]	2.210	9.880	2.210
Rmerge	0.433	0.058	5.526
Rmeas	0.469	0.063	6.122
Total number of observations	160168
Number of reflections	23329	285	1529
<I/σ(I)>	4.99	31	0.25
Completeness [%]	98.7	99	87.5
Redundancy	6.866	6.719	5.423
CC(1/2)	0.988	0.996	0.150

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	5 mg/mL protein in 20mM TRIS/HCl pH7.5, 350mM NaCl, 0.25mM TCEP, 2.5% glycerol mixed 20nL with 20nL seed solution and 110nL reservoir consisting of 0.2M NaCl, 0.1M Na/K Phosphate, 10%w/v PEG8000