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9MHS

Drimenol synthase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-1
Synchrotron siteNSLS-II
Beamline17-ID-1
Temperature [K]100
Detector technologyPIXEL
Collection date2024-10-18
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.92
Spacegroup nameC 1 2 1
Unit cell lengths179.902, 76.253, 106.429
Unit cell angles90.00, 111.68, 90.00
Refinement procedure
Resolution34.230 - 2.230
R-factor0.2071
Rwork0.206
R-free0.24950
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.846
Data reduction softwareautoPROC
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.2-5419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.4202.267
High resolution limit [Å]2.2302.230
Rmerge0.1741.297
Rmeas0.1991.477
Rpim0.0950.698
Number of reflections654823278
<I/σ(I)>2.23
Completeness [%]99.898.6
Redundancy4.5
CC(1/2)0.9890.330
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29413 mg/mL Drimenol Synthase, Tris-HCl, NaCl, TCEP, glycerol, benzyltriethylammonium chloride (BTAC), sodium pyrophosphate, Magnesium chloride hexhydrate, HEPES, sodium chloride, 25% w/v PEG 3350

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