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3UD6

Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design

Replaces:  3NL8
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2009-07-18
DetectorRIGAKU SATURN 944+
Wavelength(s)1.54
Spacegroup nameP 31 2 1
Unit cell lengths62.684, 62.684, 123.680
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.470 - 2.091
R-factor0.227
Rwork0.227
R-free0.25800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1a53 MODIFIED TO PREVENT MODEL BIAS
RMSD bond length0.008
RMSD bond angle1.028
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.160
High resolution limit [Å]2.0912.091
Number of reflections17137
<I/σ(I)>226.86
Completeness [%]99.095.2
Redundancy2.92.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION5.5298Protein at 5mg/ml in 100mm NaCl, 25mm TRIS pH7.5. Crystals grew at and near 2M ammonium sulfate, 4% PEG400, 100mN Na acetate pH5.5, vapor diffusion, temperature 298k, VAPOR DIFFUSION

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건을2024-03-27부터공개중

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