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3ZOI

ISOPENICILLIN N SYNTHASE WITH AC-O-METHYL-D-THREONINE

Replaces:  2Y86
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1998-03-24
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths46.480, 70.790, 100.510
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution11.960 - 1.820
R-factor0.16211
Rwork0.160
R-free0.20181
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bk0
RMSD bond length0.020
RMSD bond angle1.818
Data reduction softwareDENZO
Data scaling softwareSCALA
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]21.0001.910
High resolution limit [Å]1.8101.810
Rmerge0.0600.340
Number of reflections30904
<I/σ(I)>14.32.9
Completeness [%]98.292.1
Redundancy3.22.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.51.0M LITHIUM SULPHATE, 76MM TRIS/HCL, PH 8.5, 2.0MM FERROUS SULPHATE, 2.6MG/ML TRIPEPTIDE, 25MG/ML IPNS

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