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1P3W

X-ray crystal structure of E. coli IscS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]103
Detector technologyCCD
DetectorADSC QUANTUM 4
Spacegroup nameP 21 21 21
Unit cell lengths73.709, 101.974, 108.617
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution5.000 - 2.100
R-factor0.206
Rwork0.206
R-free0.23600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)T.m. Nifs
RMSD bond length0.006

*

RMSD bond angle1.390

*

Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]500.000

*

2.270
High resolution limit [Å]2.1002.100
Rmerge0.068

*

0.245

*

Total number of observations146645

*

Number of reflections46748
<I/σ(I)>7.12.7
Completeness [%]96.9

*

93.3
Redundancy3.23.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5

*

295.1PEG, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22.1K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPEG1000012 (%(w/v))
21reservoirPEG200020 (%(w/v))
31reservoirTris-HCl0.1 (M)pH9.
41reservoirsodium citrate70 (mM)pH6.5

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PDB entries from 2024-09-18

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