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7UCU

Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]85
Detector technologyCCD
Collection date2009-06-24
DetectorADSC QUANTUM 315r
Wavelength(s)0.9184
Spacegroup nameP 1
Unit cell lengths44.190, 51.140, 92.490
Unit cell angles91.90, 103.03, 109.83
Refinement procedure
Resolution19.940 - 1.100
R-factor0.1241
Rwork0.124
R-free0.14180
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7ua6
RMSD bond length0.013
RMSD bond angle1.885
Data reduction softwared*TREK
Data scaling softwared*TREK (9.9.9.8L)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.94019.9301.140
High resolution limit [Å]1.1002.3701.100
Rmerge0.0590.0380.422
Rmeas0.0680.0440.487
Rpim0.0340.242
Number of reflections2823642882326861
<I/σ(I)>930.62.5
Completeness [%]94.196.189.5
Redundancy4.033.964.04
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICRODIALYSIS727850 MM AMMONIUM N-[TRIS(HYDROXYMETHYL) METHYL]-2-AMINOETHANE SULFONATE, PH 6.7 (AT 25 C), 0.25 MM EDTA, 10 MG/ML PROTEIN, 1 MM NAD+, 100 MM 2,2,2-TRIFLUOROETHANOL, 12 TO 25 % 2-METHYL-2,4-PENTANEDIOL

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