7GWH

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 2.46 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	67.700, 67.700, 167.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.020 - 1.900
R-factor	0.184
Rwork	0.183
R-free	0.20600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
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]	34.020	34.020	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.058	0.029	0.381
Rmeas	0.062	0.031	0.403
Rpim	0.020	0.011	0.128
Total number of observations	168961	1471	11122
Number of reflections	18190	207	1169
<I/σ(I)>	18.6	42.8	5.1
Completeness [%]	98.3	94	99.4
Redundancy	9.3	7.1	9.5
CC(1/2)	0.999	0.999	0.950

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