7GVP

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 5.60 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	67.630, 67.630, 166.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.980 - 1.900
R-factor	0.193
Rwork	0.192
R-free	0.21200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.920
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]	33.980	33.980	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.067	0.026	0.598
Rmeas	0.071	0.028	0.633
Rpim	0.024	0.011	0.205
Total number of observations	169020	1500	10989
Number of reflections	18670	230	1173
<I/σ(I)>	15.7	45.8	3
Completeness [%]	100.0	98.7	100
Redundancy	9.1	6.5	9.4
CC(1/2)	0.999	0.999	0.917

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