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5KMC

Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) non-nucleotidic covalent intermediate complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCMOS
Collection date2015-09-24
DetectorRDI CMOS_8M
Wavelength(s)1.000
Spacegroup nameC 1 2 1
Unit cell lengths78.093, 46.151, 63.994
Unit cell angles90.00, 94.66, 90.00
Refinement procedure
Resolution39.697 - 1.350
R-factor0.1593
Rwork0.159
R-free0.17440
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3tw2
RMSD bond length0.005
RMSD bond angle1.019
Data reduction softwareXDS
Data scaling softwareAimless (0.5.9)
Phasing softwarePHASER (2.6.0)
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]39.70039.7001.370
High resolution limit [Å]1.3507.3901.350
Rmerge0.0440.0190.384
Rmeas0.052
Rpim0.027
Total number of observations173639
Number of reflections47786
<I/σ(I)>19.2
Completeness [%]95.993.991
Redundancy3.63.43.4
CC(1/2)0.999
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.1293100 mM MES, 39% PEG 8000,

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