5N13

Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.9724
Spacegroup name	P 21 21 21
Unit cell lengths	38.754, 45.196, 71.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.253 - 1.200
R-factor	0.1432
Rwork	0.143
R-free	0.15600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ouo
RMSD bond length	0.004
RMSD bond angle	0.763
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.050	0.263
Rpim	0.022	0.180
Number of reflections	39415	3330
<I/σ(I)>	17	3
Completeness [%]	97.9	83.8
Redundancy	5.8	2.9
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M TRIS-HCl (pH 8.5) and 1 M ammonium phosphate.