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5QC4

Crystal structure of human Cathepsin-S with bound ligand

Replaces:  3KWN
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2006-05-10
DetectorRIGAKU SATURN 944
Spacegroup nameP 1
Unit cell lengths37.020, 52.970, 58.580
Unit cell angles70.75, 71.79, 73.21
Refinement procedure
Resolution42.100 - 2.000
R-factor0.155
Rwork0.152
R-free0.21000
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.972
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwarePHENIX ((1.12_2829: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.0002.250
High resolution limit [Å]2.1002.100
Rmerge0.0680.195
Number of reflections23183
<I/σ(I)>165.1
Completeness [%]94.284.6
Redundancy3.83.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.5293100MM SODIUM ACETATE PH 4.5, 200MM AMMONIUM ACETATE, 25% PEG 8000. PROTEIN CONCENTRATION 7 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K

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