8R6K

Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a phenyltriazine ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	I 4 2 2
Unit cell lengths	128.700, 128.700, 148.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.460 - 2.190
R-factor	0.211
Rwork	0.209
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.812
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.400	2.260
High resolution limit [Å]	2.190	2.190
Rmeas	0.220	0.747
Number of reflections	32208	2779
<I/σ(I)>	7.3	3.4
Completeness [%]	100.0	100
Redundancy	6.9	7
CC(1/2)	0.993	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.072 M NaH2PO4, 1.73 M K2HPO4 (pH 8.2)