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1NJ8

Crystal Structure of Prolyl-tRNA Synthetase from Methanocaldococcus janaschii

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]100
Detector technologyCCD
Collection date2000-05-29
DetectorADSC QUANTUM 4
Wavelength(s)0.943
Spacegroup nameP 1 21 1
Unit cell lengths108.940, 104.845, 91.748
Unit cell angles90.00, 93.63, 90.00
Refinement procedure
Resolution20.000 - 3.200
R-factor0.2311
Rwork0.231
R-free0.30100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Thermus Thermophilus Proline tRNA Synthetase
RMSD bond length0.008
RMSD bond angle23.000

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0003.310
High resolution limit [Å]3.2003.200
Rmerge0.1020.380
Number of reflections30271
<I/σ(I)>7.92.2
Completeness [%]86.980.3
Redundancy2.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

8.5

*

12-25

*

Sodium Acetate, Ammonium Sulfate, PEG 4000, beta-Mercaptoethanol, Tris, Sodium Chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1Vapor diffusion

*

8.5

*

12-25

*

Sodium Acetate, Ammonium Sulfate, PEG 4000, beta-Mercaptoethanol, Tris, Sodium Chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein5 (mg/ml)
21dropTris20 (mM)pH8.5
31drop200 (mM)
41drop2-mercaptoethanol5 (mM)
51reservoirammonium sulfate0.2 (M)
61reservoirPEG400020-30 (%)
71reservoir2-mercaptoethanol5 (mM)
81reservoir0.1 (M)pH4.5

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PDB entries from 2024-09-18

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