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1T8N

CRYSTAL STRUCTURE OF THE P1 THR BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date1999-06-19
DetectorADSC QUANTUM 4
Wavelength(s)0.9312
Spacegroup nameP 61
Unit cell lengths99.960, 99.960, 205.360
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution14.980 - 1.750
R-factor0.2
Rwork0.200
R-free0.21400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1p2n
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareDENZO
Data scaling softwareCCP4 ((SCALA))
Phasing softwareCNS
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0001.840
High resolution limit [Å]1.7501.750
Rmerge0.0760.447
Number of reflections112475
<I/σ(I)>6.52
Completeness [%]96.681.7
Redundancy2.62.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.829850% AMMONIUM SULFATE, 0.1M TRIS, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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