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2X9E

HUMAN MPS1 IN COMPLEX WITH NMS-P715

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
Collection date2007-12-06
DetectorADSC CCD
Spacegroup nameC 2 2 21
Unit cell lengths105.665, 113.362, 72.485
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.990 - 3.100
R-factor0.215
Rwork0.215
R-free0.30600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3cek
RMSD bond length0.010
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareCNS (2005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0003.210
High resolution limit [Å]3.1003.100
Rmerge0.1000.450
Number of reflections7419
<I/σ(I)>10.11.89
Completeness [%]90.456.4
Redundancy2.91.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.512% PEG 20000, 0.1 M MES PH 6.5

217157

数据于2024-03-13公开中

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