9TM1

Crystal structure of bromodomain from Plasmodium falciparum GCN5 complexed with a ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	58.079, 165.488, 35.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.860 - 1.800
R-factor	0.20049
Rwork	0.198
R-free	0.24584
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.644
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.160	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.158	2.120
Rpim	0.064	0.920
Number of reflections	33196	1900
<I/σ(I)>	9.5
Completeness [%]	100.0	99.9
Redundancy	13	12
CC(1/2)	0.998	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	Protein: 22.6 mg/mL in 20 mM HEPES, 150 mM NaCl, 0.5 mM TCEP, pH 7.5, 3.6 mM compound. Reservoir: 0.2 M sodium chloride, 0.1 M phosphate/citrate pH 4.2, 20% w/v PEG 8000