4PY6

Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.97949
Spacegroup name	I 2 2 2
Unit cell lengths	74.324, 84.269, 219.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.410 - 2.500
R-factor	0.2387
Rwork	0.237
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.970
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.410	29.410	2.410
High resolution limit [Å]	2.330	9.020	2.330
Rmerge	0.164	0.060	0.561
Total number of observations		3126	16604
Number of reflections	29757
<I/σ(I)>	8.6	19.7	2.5
Completeness [%]	99.2	96.6	93.5
Redundancy	6.1	5.5	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1 M Tris, 0.1 M CaCl2, 20% PEG6k, 15% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 8.5