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2Y07

CRYSTAL STRUCTURE ANALYSIS OF THE ANTI-(4-HYDROXY-3-NITROPHENYL) - ACETYL MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3 FAB FRAGMENT IN COMPLEX WITH A PHAGE DISPLAY DERIVED DODECAPEPTIDE PPYPAWHAPGNI

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]288
Detector technologyIMAGE PLATE
Collection date2008-08-30
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths54.359, 60.829, 111.724
Unit cell angles90.00, 94.79, 90.00
Refinement procedure
Resolution23.620 - 2.400
R-factor0.2344
Rwork0.234
R-free0.25720
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)NATIVE FAB STRUCTURE
RMSD bond length0.009
RMSD bond angle1.782
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]23.6202.500
High resolution limit [Å]2.4002.400
Rmerge0.1000.120
Number of reflections14326
<I/σ(I)>53.6
Completeness [%]95.593.6
Redundancy6.23
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.150 MM TRIS HCL, 0.025% SODIUM AZIDE, PEG 3350, pH 7.1

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