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1AEH

SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-4-METHYLTHIAZOLE)

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]290
Detector technologyAREA DETECTOR
Collection date1995-05
DetectorSIEMENS
Spacegroup nameP 21 21 21
Unit cell lengths108.000, 77.300, 51.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution7.000 - 2.100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1aa4
Data reduction softwareXENGEN
Data scaling softwareXENGEN
Refinement softwareXTALVIEW
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.190
High resolution limit [Å]1.900

*

2.030
Rmerge0.048

*

0.140
Number of reflections29343
<I/σ(I)>24.193.7
Completeness [%]87.0

*

88
Redundancy2.11.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

*

618

*

20% MPD, 40 MM PHOSPHATE PH 6.0. A SINGLE CRYSTAL OF W191G WAS SOAKED IN 50MM 2-AMINO-4-METHYLTHIAZOLE IN 40% MPD AND 60 MM PHOSPHATE AT PH 4.5.
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropMPD8.5 (%(v/v))
21dropMES200 (mM)
31reservoirMPD25 (%)

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