7B7Z

DeAMPylation complex of monomeric FICD and AMPylated BiP (state 1)

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	95.371, 104.076, 105.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.250 - 1.700
R-factor	0.1961
Rwork	0.195
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o4p 6i7l
RMSD bond length	0.003
RMSD bond angle	1.171
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.630	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.085	1.299
Number of reflections	115633	5639
<I/σ(I)>	10.3	1.2
Completeness [%]	99.8	99.3
Redundancy	6.6	6.5
CC(1/2)	0.992	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M MES pH 6.5 10% PEG 4000 0.2 M NaCl