7GWL

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 7.38 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	2017-07-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 61 2 2
Unit cell lengths	67.790, 67.790, 167.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.060 - 1.900
R-factor	0.182
Rwork	0.181
R-free	0.20300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	0.930
Data scaling software	Aimless (0.5.32)
Phasing software	BUSTER (2.10.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.060	34.060	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.065	0.026	0.643
Rmeas	0.069	0.028	0.680
Rpim	0.022	0.010	0.215
Total number of observations	168979	1480	10944
Number of reflections	18252	208	1154
<I/σ(I)>	16.2	44.3	3.2
Completeness [%]	98.3	94.1	99.4
Redundancy	9.3	7.1	9.5
CC(1/2)	0.999	0.999	0.893

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