6HA7

Crystal structure of the BiP NBD and MANF complex

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	2017-09-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.916
Spacegroup name	P 1
Unit cell lengths	58.420, 60.960, 96.110
Unit cell angles	81.13, 88.33, 74.33

Refinement procedure

Resolution	36.520 - 2.490
R-factor	0.22782
Rwork	0.226
R-free	0.25608
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h9u 2w51
RMSD bond length	0.004
RMSD bond angle	0.794
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.520	2.550
High resolution limit [Å]	2.490	2.490
Rmerge	0.050	0.707
Rmeas	0.072	0.999
Rpim	0.050	0.707
Number of reflections	43348	3227
<I/σ(I)>	13.3	1.6
Completeness [%]	98.1	98.1
Redundancy	3.5	3.6
CC(1/2)	0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	7% PEG6000, 0.1 M Tris-HCl pH7.5