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1JP7

Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE A1
Synchrotron siteCHESS
BeamlineA1
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 4
Wavelength(s)0.9023
Spacegroup nameC 2 2 21
Unit cell lengths102.100, 174.310, 86.970
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.800
R-factor0.224

*

Rwork0.251
R-free0.24900

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)native ssMTAP
RMSD bond length0.006
RMSD bond angle1.283
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.000
High resolution limit [Å]1.8001.800
Rmerge0.0530.156
Total number of observations195119

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Number of reflections50040
<I/σ(I)>9.34.4
Completeness [%]95.796.5
Redundancy3.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.4291used microseeding

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein7-10 (mg/ml)
21reservoirdioxane28-30 (%)
31reservoirMPD12 (%)
41reservoir0.12 (M)
51reservoir0.04 (M)
61reservoirTris-HCl0.1 (M)

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PDB entries from 2024-11-06

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