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9LMJ

Crystal structure of LooH in complex with I-Trp

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2021-08-10
DetectorADSC QUANTUM 210
Wavelength(s)1
Spacegroup nameP 1 21 1
Unit cell lengths51.201, 123.744, 82.039
Unit cell angles90.00, 97.79, 90.00
Refinement procedure
Resolution27.110 - 1.800
R-factor0.18158
Rwork0.180
R-free0.21387
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.151
Data reduction softwareHKL-2000
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0430)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.740
High resolution limit [Å]1.6801.680
Rmerge0.0510.748
Rpim0.033
Number of reflections8666211486
<I/σ(I)>19.94
Completeness [%]98.799.7
Redundancy3.33.2
CC(1/2)0.638
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP83000.1 M HEPES, 25% PEG3350

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