7GXO

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 27.15 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	67.740, 67.740, 166.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.970 - 1.950
R-factor	0.181
Rwork	0.179
R-free	0.21200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	0.950
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]	33.960	33.960	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.134	0.043	2.149
Rmeas	0.143	0.046	2.276
Rpim	0.047	0.017	0.743
Total number of observations	154781	1603	10995
Number of reflections	17360	245	1195
<I/σ(I)>	8.2	28.1	1.1
Completeness [%]	100.0	98.9	100
Redundancy	8.9	6.5	9.2
CC(1/2)	0.998	0.998	0.482

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