9HHB

Crystal Structure of the Plasmodium vivax Bromodomain PvBDP1 in complex with RMM21

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	2022-06-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999987
Spacegroup name	P 62 2 2
Unit cell lengths	92.382, 92.382, 69.811
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.190 - 2.260
R-factor	0.2187
Rwork	0.216
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.376
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]	46.190	2.330
High resolution limit [Å]	2.260	2.260
Rmerge	0.137	0.965
Rmeas	0.139	0.977
Rpim	0.023	0.153
Total number of observations	333586	31733
Number of reflections	8689	778
<I/σ(I)>	20	5.6
Completeness [%]	100.0
Redundancy	38.4	40.8
CC(1/2)	0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	35% PEG3350, 0.4 M LiSO4, Tris pH 8,2