8BPT

Crystal structure of the second bromodomain of BRD5 from Leishmania donovani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	33.370, 75.356, 105.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.845 - 1.600
Rwork	0.162
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tck
RMSD bond length	0.008
RMSD bond angle	1.402
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.845	31.820	1.630
High resolution limit [Å]	1.600	8.620	1.600
Rmerge	0.047	0.029	0.568
Rmeas	0.054	0.033	0.646
Rpim	0.025	0.015	0.304
Number of reflections	35399	273	1738
<I/σ(I)>	19.4
Completeness [%]	98.3
Redundancy	8.1	6.8	8.4
CC(1/2)	0.999	0.999	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M HEPES pH 7.5 and 1.4 M sodium citrate