Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4CRB

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2009-06-12
DetectorADSC CCD
Spacegroup nameI 2 3
Unit cell lengths120.990, 120.990, 120.990
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.700 - 1.850
R-factor0.191
Rwork0.190
R-free0.21300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)NONE
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.900
High resolution limit [Å]1.8501.850
Rmerge0.0800.630
Number of reflections25023
<I/σ(I)>13.92.2
Completeness [%]99.5100
Redundancy5.15.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.52M AMMONIUM SULFATE 0.1M TRIS-CL PH 8.5 0.2M NACL

217705

數據於2024-03-27公開中

PDB statisticsPDBj update infoContact PDBjnumon