8R6L

Crystal structure of Candida glabrata Bdf1 bromodomain 2 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	2017-10-20
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	P 1 21 1
Unit cell lengths	80.291, 67.686, 96.618
Unit cell angles	90.00, 95.52, 90.00

Refinement procedure

Resolution	44.370 - 1.960
R-factor	0.2015
Rwork	0.200
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.931
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]	44.370	2.120
High resolution limit [Å]	1.960	1.960
Rmeas	0.050	0.795
Number of reflections	73550	15349
<I/σ(I)>	13.2	1.8
Completeness [%]	99.0	99.2
Redundancy	3	3
CC(1/2)	0.999	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	33% MPD, 100 mM sodium acetate