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1Y3F

Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]100
Detector technologyCCD
Collection date2002-06-06
DetectorADSC QUANTUM 4
Wavelength(s)1.000
Spacegroup nameP 65 2 2
Unit cell lengths93.583, 93.583, 187.044
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution81.650 - 1.720
R-factor0.1644
Rwork0.163
R-free0.19020
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1tm3
RMSD bond length0.021
RMSD bond angle1.818
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareEPMR
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 Overall
Low resolution limit [Å]81.650
High resolution limit [Å]1.720
Number of reflections49329
<I/σ(I)>10.7
Completeness [%]99.6
Redundancy4.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6277sodium citrate, isopropanol, PEG 4000, 3% xylitol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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