9KLY

Crystal Structure of the bromodomain of human BRD9 in complex with the inhibitor Y22032

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-12-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	43.959, 51.056, 64.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.150
R-factor	0.19187
Rwork	0.190
R-free	0.22743
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.060	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.043	0.095
Rmeas	0.049	0.111
Rpim	0.024	0.055
Total number of observations	27123	2214
Number of reflections	7195	647
<I/σ(I)>	19.8	10.3
Completeness [%]	88.3
Redundancy	3.8	3.4
CC(1/2)	0.998	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3,350