6HAB

Crystal structure of BiP V461F (apo)

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	2017-06-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 1 21 1
Unit cell lengths	50.610, 52.500, 91.730
Unit cell angles	90.00, 97.34, 90.00

Refinement procedure

Resolution	50.200 - 2.080
R-factor	0.23833
Rwork	0.237
R-free	0.27102
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ldn 5e85
RMSD bond length	0.002
RMSD bond angle	1.208
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.200	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.029	0.775
Rmeas	0.039	1.063
Number of reflections	28693	2082
<I/σ(I)>	16.5	1.4
Completeness [%]	99.2	99.5
Redundancy	3.4	3.2
CC(1/2)	1.000	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	8% PEG1000, 0.1M Tris-HCl pH8.5