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1P49

Structure of Human Placental Estrone/DHEA Sulfatase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]100
Detector technologyCCD
Collection date2001-05-14
DetectorADSC QUANTUM 4
Spacegroup nameP 3 2 1
Unit cell lengths116.980, 116.980, 102.660
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution60.000 - 2.600
R-factor0.254
Rwork0.254
R-free0.30100
Structure solution methodAB INITIO PHASING
RMSD bond length0.007
RMSD bond angle1.354
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASES
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]60.0002.740
High resolution limit [Å]2.6002.600
Rmerge0.0680.239
Number of reflections24534
<I/σ(I)>7.83.1
Completeness [%]97.496.2
Redundancy6.15.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION8.529845-50% MPD, 0.10M ammonium phosphate, pH 8.5, VAPOR DIFFUSION, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirMPD45-50 (%)
21reservoirTris-HCl100 (mM)pH8.5
31reservoirammonium phosphate0.10-0.20 (M)
41reservoirn-octyl-beta-D-glukopyranoside0.3 (%)

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