9D12

Smarca2 Bromodomain in complex with compound 15

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	67.897, 67.897, 88.819
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.030 - 2.099
R-factor	0.2172
Rwork	0.216
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.760
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	2.140
High resolution limit [Å]	2.099	5.700	2.100
Rmerge	0.169	0.078	0.909
Rmeas	0.182	0.082	0.999
Rpim	0.068	0.028	0.410
Number of reflections	26750	1338	1341
<I/σ(I)>	7.9
Completeness [%]	99.9	99.9	99.9
Redundancy	6.9	8.4	5.4
CC(1/2)	0.989	0.996	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	28% Peg 3350, 50mM ZnAc, 6% Sucrose