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1OXN

Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyCCD
Collection date2002-04-12
DetectorADSC QUANTUM 4
Wavelength(s)1.2822, 1.2834, 1.1921
Spacegroup nameP 32
Unit cell lengths82.770, 82.770, 93.170
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 2.200
R-factor0.17202
Rwork0.169
R-free0.22500

*

Structure solution methodMAD
RMSD bond length0.008
RMSD bond angle1.020

*

Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.000

*

2.280
High resolution limit [Å]2.2002.200
Rmerge0.0400.216
Number of reflections73906
<I/σ(I)>19.14.4
Completeness [%]98.699.6
Redundancy22
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

6.5

*

298sodium acetate, PEG 300, DTT , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropMES10 (mM)pH6.5
21dropprotein20 (mg/ml)
31reservoirsodium acetate50 (mM)pH5.0
41reservoirPEG3005 (%(v/v))
51reservoirdithiothreitol5 (mM)

238268

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