7SUL

Crystal structure of the WD-repeat domain of human SEC31A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	51.180, 156.750, 85.190
Unit cell angles	90.00, 99.48, 90.00

Refinement procedure

Resolution	44.370 - 2.400
R-factor	0.19
Rwork	0.189
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ALPHAFOLD
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.116	0.052	0.781
Rmeas	0.136	0.061	0.917
Rpim	0.069	0.031	0.473
Total number of observations	167966
Number of reflections	49159	2555	1994
<I/σ(I)>	7.1
Completeness [%]	94.2	95.9	75
Redundancy	3.4	3.6	3
CC(1/2)		0.996	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	30%(w/v)PEG4K,0.2M Sodium Acetat, 0.1M Tris HCL pH8.5