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4HB8

Crystal structure of PpcA K22Q mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2004-04-19
DetectorADSC QUANTUM 210r
Wavelength(s)1.03320
Spacegroup nameP 43 2 2
Unit cell lengths32.330, 32.330, 178.290
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.900
R-factor0.18962
Rwork0.186
R-free0.22752
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1os6
RMSD bond length0.014
RMSD bond angle1.502
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.660
High resolution limit [Å]1.6001.600
Rmerge0.0440.233
<I/σ(I)>54.29.6
Completeness [%]88.874.7
Redundancy6.86.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.82983.7 M ammonium sulfate pH adjusted to 5.8 with ammonium hydroxide; 0.25% deoxycholate in the drop, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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