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1OS0

Thermolysin with an alpha-amino phosphinic inhibitor

Replaces:  1NO0
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsLURE BEAMLINE DW32
Synchrotron siteLURE
BeamlineDW32
Temperature [K]277
Detector technologyIMAGE PLATE
Collection date2002-08-11
DetectorMARRESEARCH
Wavelength(s)0.968
Spacegroup nameP 61 2 2
Unit cell lengths93.782, 93.782, 132.249
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.000

*

- 2.000

*

Rwork0.147
R-free0.17300

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1lnf
RMSD bond length0.021
RMSD bond angle0.022
Data reduction softwareMOSFLM
Data scaling softwareSCALA (- TRUNCATE)
Phasing softwareAMoRE
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.900

*

2.300
High resolution limit [Å]2.000

*

2.000

*

Rmerge0.0760.125

*

Number of reflections23742

*

<I/σ(I)>94.1
Completeness [%]91.6

*

85.5

*

Redundancy5.23.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8278DMSO, CaCl2, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein120 (mg/ml)
21dropinhibitor20 (mM)
31reservoirTris acetate50 (mM)pH8.0
41reservoircalcium acetate0.5 (M)
51reservoirdithiothreitol4 (mM)
61reservoirsodium azide1 (mM)
71reservoirDMSO45 (%(v/v))

219869

PDB entries from 2024-05-15

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