6X1O

WOR5 from Pyrococcus furiosus, as crystallized

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	123.092, 126.821, 141.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.189 - 2.094
R-factor	0.1789
Rwork	0.178
R-free	0.20520
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.717
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	CNS
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.190	2.180
High resolution limit [Å]	2.094	2.100
Rmeas	0.140	0.738
Rpim	0.055	0.213
Number of reflections	498042	24417
<I/σ(I)>	15.575	2.346
Completeness [%]	99.1
Redundancy	12.1
CC(1/2)	0.994	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	7.5	298	0.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate