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1NXO

MicArec pH7.0

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX14.2
Synchrotron siteSRS
BeamlinePX14.2
Temperature [K]100
Detector technologyCCD
Collection date2002-11-14
DetectorADSC QUANTUM 4
Wavelength(s)0.978
Spacegroup nameC 2 2 21
Unit cell lengths80.308, 92.512, 36.520
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.160 - 1.850
R-factor0.18062
Rwork0.176
R-free0.21810

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Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1nxt
RMSD bond length0.016
RMSD bond angle1.532
Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((SCALA))
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.27)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.1601.898
High resolution limit [Å]1.8501.850
Rmerge0.084

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0.237

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Total number of observations260225

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Number of reflections12010
<I/σ(I)>72.4
Completeness [%]99.4100

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5

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20

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40%v/v PEG 300, 5%w/v PEG 1,000, 100mM Tris, , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropTris-HCl25 (mM)
21drop300 (mM)pH7.5
31dropprotein10 (mg/ml)
41reservoirPEG30030 (%(v/v))
51reservoirTris-HCl0.1 (M)pH7.0

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