7GW1

Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 1.29 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	2019-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9688
Spacegroup name	P 61 2 2
Unit cell lengths	67.490, 67.490, 166.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.590 - 1.750
R-factor	0.171
Rwork	0.170
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.890
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.880	33.880	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.080	0.060	0.254
Rmeas	0.085	0.065	0.269
Rpim	0.027	0.022	0.088
Total number of observations	213936	1592	11819
Number of reflections	23337	215	1268
<I/σ(I)>	15.8	23.3	6.7
Completeness [%]	99.7	96.7	100
Redundancy	9.2	7.4	9.3
CC(1/2)	0.997	0.998	0.970

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