6NP7

Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-14
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	69.317, 66.085, 60.580
Unit cell angles	90.00, 110.89, 90.00

Refinement procedure

Resolution	32.060 - 2.160
R-factor	0.2054
Rwork	0.203
R-free	0.26700
RMSD bond length	0.010
RMSD bond angle	1.372
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.200
High resolution limit [Å]	2.160	5.860	2.160
Rmerge	0.095	0.060	0.438
Rmeas	0.118	0.074	0.558
Rpim	0.069	0.044	0.339
Number of reflections	13243	697	523
<I/σ(I)>	10.1
Completeness [%]	94.7	95.7	74.8
Redundancy	2.5	2.7	1.8
CC(1/2)		0.991	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.4M NaCitrate, and 0.1M HEPES pH7.5