8D41

Crystal structure of the human COPB2 WD-domain in complex with OICR-6254

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-24
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	57.015, 91.149, 58.716
Unit cell angles	90.00, 99.58, 90.00

Refinement procedure

Resolution	48.920 - 2.000
R-factor	0.173
Rwork	0.171
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d30
RMSD bond length	0.010
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.920	48.870	2.050
High resolution limit [Å]	2.000	8.930	2.000
Rmerge	0.112	0.042	0.534
Rmeas	0.128	0.049	0.617
Rpim	0.062	0.025	0.305
Total number of observations		1819	10481
Number of reflections	38534	474	2656
<I/σ(I)>	11.3	29.7	3
Completeness [%]	96.1	98.5	90.1
Redundancy	4.2	3.8	3.9
CC(1/2)	0.993	0.987	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% w/v PEG3350,0.1 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5