9I5Y

Crystal structure of ADP-bound BiP ATPase domain in complex with CDNF C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	P 21 21 21
Unit cell lengths	50.630, 80.940, 102.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.490 - 1.500
R-factor	0.177
Rwork	0.176
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.500	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.129	1.577
Rmeas	0.135	1.695
Rpim	0.037	0.605
Total number of observations		23990
Number of reflections	68155	3180
<I/σ(I)>	13.2	1.4
Completeness [%]	99.5
Redundancy	12.6	7.5
CC(1/2)	0.999	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	100 mM Bis-Tris pH 5.5, 100 mM NaCl, 25% (w/v) PEG3350