5ERV

Ternary complex of GephE - ADP - Tungsten cluster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2148
Spacegroup name	I 2 2 2
Unit cell lengths	87.661, 99.675, 113.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.826 - 1.800
R-factor	0.1583
Rwork	0.156
R-free	0.20310
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.404
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.820	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.180	2.134
Number of reflections	46251
<I/σ(I)>	12.3	1.8
Completeness [%]	100.0	100
Redundancy	13.2	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1 M sodium acetate, 0.02 M calcium chloride, 30 % MPD