5TPX

Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98011
Spacegroup name	P 4 21 2
Unit cell lengths	75.000, 75.000, 49.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 - 2.100
R-factor	0.188
Rwork	0.185
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qns
RMSD bond length	0.010
RMSD bond angle	0.670
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.550	37.550	2.140
High resolution limit [Å]	2.100	5.690	2.100
Rmerge	0.100	0.056	0.725
Number of reflections	8411
<I/σ(I)>	6.8
Completeness [%]	96.0	92.6	89
Redundancy	7.8	7.1	7.8
CC(1/2)		0.998	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	The protein was crystallized at 293 K in 0.1M CaCl2, 30% PEG 8K, 0.2M NH4SO4 with 2mM compound using the sitting drop method.