9D11

Smarca2 Bromodomain in complex with compound 22

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1271
Spacegroup name	P 31
Unit cell lengths	60.860, 60.860, 89.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.430 - 1.684
R-factor	0.1782
Rwork	0.177
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.940
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (23-JAN-2024))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.099	0.045	0.685
Rmeas	0.105	0.048	0.743
Rpim	0.034	0.014	0.284
Total number of observations	381153
Number of reflections	41720	2090	2101
<I/σ(I)>	9.5
Completeness [%]	99.9	99.6	99.5
Redundancy	9.1	10.8	6.7
CC(1/2)	0.998	0.998	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	32% Peg 3350, 50mM ZnAc, 6% Sucrose