5N15

First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	50.626, 67.568, 188.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.894 - 2.370
R-factor	0.2049
Rwork	0.203
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
RMSD bond length	0.002
RMSD bond angle	0.454
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]	54.900	2.450
High resolution limit [Å]	2.370	2.370
Rmerge	0.088	0.789
Rpim	0.044	0.388
Number of reflections	27138	2644
<I/σ(I)>	14.5
Completeness [%]	99.8	99.9
Redundancy	4.9	5
CC(1/2)	0.998	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2 M ammonium iodide (pH 6.5) and 26% (w/v) PEG 3350