7GWG

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 1.23 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	67.530, 67.530, 166.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.900 - 1.900
R-factor	0.187
Rwork	0.186
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.940
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.900	33.900	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.063	0.039	0.325
Rmeas	0.067	0.042	0.344
Rpim	0.022	0.016	0.108
Total number of observations	167657	1500	10720
Number of reflections	18561	234	1147
<I/σ(I)>	17.2	31.8	5.7
Completeness [%]	100.0	98.6	100
Redundancy	9	6.4	9.3
CC(1/2)	0.998	0.995	0.965

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