7GQS

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

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	2021-09-15
Detector	PSI PILATUS 6M
Wavelength(s)	0.99997
Spacegroup name	P 1 21 1
Unit cell lengths	50.071, 90.066, 53.788
Unit cell angles	90.00, 102.46, 90.00

Refinement procedure

Resolution	48.890 - 1.570
R-factor	0.1776
Rwork	0.175
R-free	0.21850
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]	48.890	48.890	1.610
High resolution limit [Å]	1.570	7.030	1.570
Rmerge	0.089	0.029	3.741
Rmeas	0.096	0.032	4.025
Total number of observations	447065
Number of reflections	63541	762	4628
<I/σ(I)>	10.47	46.35	0.47
Completeness [%]	98.2	99.2	96.8
Redundancy	7.036	6.757	7.275
CC(1/2)	0.999	0.999	0.216

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	5 mg/mL protein in 20mM TRIS/HCl pH7.5, 350mM NaCl, 0.25mM TCEP, 2.5% glycerol mixed 40nL with 180nL reservoir consisting of 9.091 %w/v Silver Bullets 42, 0.091 M MES monohydrate, 2.727 %v/v Jeffamine T-403, 13.6 %v/v pentaerythritol ethoxylate, 0.182M Potassium acetate pH6