7GW3

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 3.87 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	67.530, 67.530, 166.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.880 - 1.750
R-factor	0.17
Rwork	0.169
R-free	0.19000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.900
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]	33.890	33.890	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.083	0.063	0.304
Rmeas	0.088	0.068	0.322
Rpim	0.029	0.024	0.105
Total number of observations	214785	1589	11871
Number of reflections	23348	213	1270
<I/σ(I)>	14.9	23	5.9
Completeness [%]	99.7	96	100
Redundancy	9.2	7.5	9.3
CC(1/2)	0.996	0.995	0.961

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