7GVV

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 14.00 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	67.680, 67.680, 167.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.010 - 1.900
R-factor	0.192
Rwork	0.191
R-free	0.21300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
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]	34.010	34.010	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.085	0.024	1.205
Rmeas	0.091	0.026	1.275
Rpim	0.030	0.010	0.413
Total number of observations	168706	1493	10959
Number of reflections	18710	229	1172
<I/σ(I)>	12	46.2	1.6
Completeness [%]	100.0	98.7	100
Redundancy	9	6.5	9.4
CC(1/2)	0.999	0.999	0.755

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