7M97

Crystal structure of the bromodomain from Plasmodium falciparum bromodomain protein 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-07-08
Detector	RDI CMOS_8M
Wavelength(s)	0.9762
Spacegroup name	I 2 2 2
Unit cell lengths	38.051, 88.667, 106.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.840 - 2.000
R-factor	0.1958
Rwork	0.194
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ulc
RMSD bond length	0.008
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.840	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.026	0.267
Rmeas	0.037	0.378
Rpim	0.026	0.267
Number of reflections	12597	1203
<I/σ(I)>	19.24	2.93
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.3 M lithium sulfate, 0.1 M tris, pH 8.5, 38% PEG400