7GV7

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 1.45 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	67.576, 67.576, 166.299
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.890 - 1.850
R-factor	0.179
Rwork	0.178
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.880
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]	33.890	33.890	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.130	0.146	0.425
Rmeas	0.138	0.156	0.450
Rpim	0.045	0.055	0.144
Total number of observations	182379	1599	11308
Number of reflections	19809	210	1219
<I/σ(I)>	10.4	14.8	4.7
Completeness [%]	99.5	94.7	100
Redundancy	9.2	7.6	9.3
CC(1/2)	0.990	0.969	0.944

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