6NEY

Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	61.887, 70.428, 26.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.490 - 1.680
R-factor	0.22603
Rwork	0.224
R-free	0.26702
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tcm
RMSD bond length	0.007
RMSD bond angle	1.502
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.082	0.060	0.732
Rmeas	0.087	0.065	0.789
Rpim	0.030	0.024	0.283
Number of reflections	13782	800	555
<I/σ(I)>	6.6
Completeness [%]	98.2	99.6	83.7
Redundancy	7.8	7.5	6
CC(1/2)		0.995	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	1.8 M NH4SO4, 0.2 M Na Acetate and 0.1M Hepes pH7.5