7GVJ

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 18.85 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	67.680, 67.680, 166.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.960 - 1.850
R-factor	0.182
Rwork	0.181
R-free	0.20300
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.900
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	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.126	0.076	2.299
Rmeas	0.134	0.082	2.430
Rpim	0.044	0.029	0.774
Total number of observations	181583	1539	11260
Number of reflections	19916	210	1218
<I/σ(I)>	8	21.5	1
Completeness [%]	99.5	94.7	100
Redundancy	9.1	7.3	9.2
CC(1/2)	0.996	0.992	0.459

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