9HHA

Crystal Structure of the Plasmodium vivax Bromodomain PvBDP1 in complex with RMM4

This is a non-PDB format compatible entry.

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	2022-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 62 2 2
Unit cell lengths	92.260, 92.260, 72.856
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.130 - 1.900
R-factor	0.1875
Rwork	0.186
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.476
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	0.709
Rmeas	0.076	0.718
Rpim	0.012	0.114
Total number of observations	582177	36438
Number of reflections	14965	935
<I/σ(I)>	33.8	6.1
Completeness [%]	100.0
Redundancy	38.9	39
CC(1/2)	1.000	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	35% PEG 3350, 0.5 M LiSO4, Tris pH 8