5CZG

Crystal Structure Analysis of hypothetical bromodomain Tb427.10.7420 from Trypanosoma brucei in complex with bromosporine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 43 2 2
Unit cell lengths	36.766, 36.766, 162.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.766 - 1.451
R-factor	0.1649
Rwork	0.162
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ame
RMSD bond length	0.007
RMSD bond angle	1.093
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.450	3.940	1.450
Rmerge	0.050	0.025	0.295
Rmeas	0.054	0.028	0.324
Rpim	0.020	0.011	0.131
Total number of observations	152445
Number of reflections	20807
<I/σ(I)>	18.7
Completeness [%]	99.7	94.8	100
Redundancy	7.3	6.2	6
CC(1/2)		0.999	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.5M Sodium Citrate, 62.5 mM Tris-HC