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9D12

Smarca2 Bromodomain in complex with compound 15

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]100
Detector technologyPIXEL
Collection date2022-10-06
DetectorDECTRIS EIGER X 9M
Wavelength(s)1.1271
Spacegroup nameP 31
Unit cell lengths67.897, 67.897, 88.819
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution49.030 - 2.099
R-factor0.2172
Rwork0.216
R-free0.23990
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.760
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.4 (23-JAN-2024))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.140
High resolution limit [Å]2.0995.7002.100
Rmerge0.1690.0780.909
Rmeas0.1820.0820.999
Rpim0.0680.0280.410
Number of reflections2675013381341
<I/σ(I)>7.9
Completeness [%]99.999.999.9
Redundancy6.98.45.4
CC(1/2)0.9890.9960.854
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29328% Peg 3350, 50mM ZnAc, 6% Sucrose

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