7B80

DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	95.000, 103.890, 104.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.400 - 1.870
R-factor	0.2021
Rwork	0.201
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o4p 6i7l
RMSD bond length	0.003
RMSD bond angle	1.199
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.400	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.087	1.793
Number of reflections	86247	6270
<I/σ(I)>	11.9	1
Completeness [%]	100.0	100
Redundancy	6.6	6.9
CC(1/2)	0.999	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris pH 8.0 25% PEG 400