9HHC

Crystal Structure of the Plasmodium falciparum Bromodomain PfBDP1 in complex with MPM2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	38.360, 86.720, 107.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.360 - 1.560
R-factor	0.2
Rwork	0.198
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.759
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.575	1.662
High resolution limit [Å]	1.558	1.558
Rmerge	0.221
Rmeas	0.230
Rpim	0.063	0.550
Number of reflections	13888	695
<I/σ(I)>	13.6	1.4
Completeness [%]	89.5
Redundancy	13
CC(1/2)	0.996	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG3350, 0.2M LiSO4, 0.1 M Tris pH 8.5