4NXJ

Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-27
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	41.240, 41.352, 107.432
Unit cell angles	90.00, 93.37, 90.00

Refinement procedure

Resolution	29.890 - 2.180
R-factor	0.2051
Rwork	0.203
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FFAS03 model of 3g0l
RMSD bond length	0.010
RMSD bond angle	1.040
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.750	35.750	2.250
High resolution limit [Å]	2.180	9.000	2.180
Rmerge	0.081	0.021	0.357
Total number of observations		989	3938
Number of reflections	18730
<I/σ(I)>	11.1	36.6	3.1
Completeness [%]	95.5	98.2	66
Redundancy	1.7	1.8	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	25% PEG3350, 0.3 M KAcetate, pH 7.5, microbatch, temperature 293K