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3E28

H. influenzae beta-carbonic anhydrase, variant Y181F

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2003-02-03
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameC 1 2 1
Unit cell lengths230.193, 144.943, 52.714
Unit cell angles90.00, 93.78, 90.00
Refinement procedure
Resolution29.840 - 2.500
R-factor0.208
Rwork0.206
R-free0.25600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2a8d
RMSD bond length0.012
RMSD bond angle1.311
Data reduction softwareDENZO
Data scaling softwareSCALA (3.2.5)
Phasing softwareEPMR (2.5)
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.8412.640
High resolution limit [Å]2.5002.500
Rmerge0.0900.520
Number of reflections59536
<I/σ(I)>19.62.6
Completeness [%]99.9100
Redundancy44
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52950.1 M Hepes, 1.5 M ammonium sulfate, 4% PEG-400, 20 mg/ml protein, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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