7GXH

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 14.48 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	67.620, 67.620, 166.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.930 - 1.950
R-factor	0.179
Rwork	0.178
R-free	0.20800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.920
Data reduction software	Aimless (0.5.32)
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]	33.930	33.930	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.100	0.050	0.765
Rmeas	0.106	0.054	0.809
Rpim	0.035	0.021	0.260
Total number of observations	155102	1569	10962
Number of reflections	17223	228	1187
<I/σ(I)>	11.1	30.6	2.6
Completeness [%]	100.0	98.7	100
Redundancy	9	6.9	9.2
CC(1/2)	0.998	0.998	0.844

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