8R6I

Crystal structure of Candida glabrata Bdf1 bromodomain 1 in the unbound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	P 1
Unit cell lengths	22.890, 40.593, 48.872
Unit cell angles	98.14, 94.37, 94.77

Refinement procedure

Resolution	48.190 - 1.080
R-factor	0.1743
Rwork	0.174
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	1.110
High resolution limit [Å]	1.080	1.080
Rmeas	0.851	0.851
Number of reflections	66240	4162
<I/σ(I)>	9.1
Completeness [%]	88.5	75
Redundancy	1.7
CC(1/2)	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25% (w/v) PEG 1500 and 0.1 MIB (malonic acid:imidazole:boric acid in 2:3:3 molar ratio) buffer (pH 9).