7GWD

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 16.77 MGy X-ray dose.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9688
Spacegroup name	P 61 2 2
Unit cell lengths	67.750, 67.750, 166.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.990 - 1.750
R-factor	0.18
Rwork	0.179
R-free	0.19900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.890
Data scaling software	Aimless (0.7.4)
Phasing software	BUSTER (2.10.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.990	33.990	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.099	0.047	2.094
Rmeas	0.105	0.050	2.230
Rpim	0.035	0.017	0.747
Total number of observations	213396	1589	11984
Number of reflections	23568	216	1297
<I/σ(I)>	10.5	27.8	1.2
Completeness [%]	99.7	96.7	100
Redundancy	9.1	7.4	9.2
CC(1/2)	0.998	0.999	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO