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2J24

The functional role of the conserved active site proline of triosephosphate isomerase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR591
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2004-08-16
DetectorMAR scanner 345 mm plate
Spacegroup nameP 1
Unit cell lengths37.500, 43.720, 71.270
Unit cell angles80.49, 79.61, 64.66
Refinement procedure
Resolution19.210 - 2.100
R-factor0.153
Rwork0.149
R-free0.23000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5tim
RMSD bond length0.017
RMSD bond angle1.638
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.200
High resolution limit [Å]2.1002.100
Rmerge0.0700.130
Number of reflections22102
<I/σ(I)>13.88.67
Completeness [%]94.592.2
Redundancy2.652.63
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17WELL SOLUTION: 0.1 M TEA PH 7.0, 27% PEG 2K MME AND 0.2 M KSCN PROTEIN SOLUTION: 11 MG/ML PROTEIN, 0.02 M TRIS/HCL PH 7.0, 0.1 M NACL, 1 MM DTT, 1 MM EDTA AND 1 MM NAN3.

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