9DTY

Crystal structure of PRT3789 in complex with the bromodomain of human BRM (SMARCA2) and pVHL:ElonginC:ElonginB

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45PX
Synchrotron site	SPring-8
Beamline	BL45PX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 2
Unit cell lengths	183.960, 203.630, 206.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.480 - 3.190
R-factor	0.2574
Rwork	0.256
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.480	3.329
High resolution limit [Å]	3.187	3.187
Rmerge	0.355	1.338
Rmeas	0.363	1.372
Rpim	0.077	0.300
Number of reflections	106916	5346
<I/σ(I)>	11.9
Completeness [%]	96.8	96.6
Redundancy	22.1	20.9
CC(1/2)	0.998	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.26	291	2% v/v Tacsimate, pH 5.0, 0.1 M tri-sodium citrate, pH 5.26, 11.36% w/v PEG3350, 0.1 M barium chloride dihydrate