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8YT2

Crystal structure of ACMSD mutant W194A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]100
Detector technologyCCD
Collection date2019-04-04
DetectorADSC QUANTUM 315
Wavelength(s)0.97935
Spacegroup nameC 2 2 21
Unit cell lengths104.002, 151.647, 154.105
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.100 - 2.020
R-factor0.1952
Rwork0.194
R-free0.23100
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.858
Data reduction softwareDENZO
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.17.1_3660: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.050
High resolution limit [Å]2.0205.4802.020
Rmerge0.0660.955
Rmeas0.0721.047
Rpim0.0290.423
Number of reflections7996841833948
<I/σ(I)>6.3
Completeness [%]99.998.799.6
Redundancy7.16.55.9
CC(1/2)1.0000.9940.713
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION2952% (v/v) malonate pH 7.0, 0.1M sodium citrate tribasic pH 5.6, 12% (w/v) polyethylene glycol 3350

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