8F6G

Crystal structure of BPTF bromodomain in complex with BZ2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	26.976, 66.859, 39.564
Unit cell angles	90.00, 104.94, 90.00

Refinement procedure

Resolution	33.430 - 1.950
R-factor	0.1932
Rwork	0.191
R-free	0.22610
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7m2e
RMSD bond length	0.004
RMSD bond angle	0.716
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.20)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.430	33.430	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.105	0.052	0.609
Number of reflections	9052	493	404
<I/σ(I)>	5.7
Completeness [%]	90.9	95.4	83
Redundancy	2.3	2.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0. 2 M NaCl and 23% PEG 3350