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1HB4

ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Detector technologyCCD
Collection date1998-12-12
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths46.660, 71.210, 100.170
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.000 - 1.500
R-factor0.177

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Rwork0.182
R-free0.19000

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Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qje
RMSD bond length0.008
RMSD bond angle0.024
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.2601.580
High resolution limit [Å]1.5001.500
Rmerge0.0520.315
Total number of observations205116

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Number of reflections505046685

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<I/σ(I)>8.22
Completeness [%]92.585.4
Redundancy43.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

8.5

*

17

*

Roach, P.L., (1996) Eur. J. Biochem., 242, 736.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirlithium sulfate1.8 (M)
21reservoirTris-HCl100 (mM)

217705

数据于2024-03-27公开中

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