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5EI0

Structure of RCL-cleaved vaspin (serpinA12)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyCCD
Collection date2010-03-11
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.91841
Spacegroup nameP 1 21 1
Unit cell lengths60.392, 104.422, 62.965
Unit cell angles90.00, 96.90, 90.00
Refinement procedure
Resolution29.189 - 2.500
R-factor0.2267
Rwork0.224
R-free0.27530
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4if8
RMSD bond length0.002
RMSD bond angle0.568
Data reduction softwareXDS (November 3, 2014)
Data scaling softwareXSCALE (November 3, 2014)
Phasing softwarePHASER (2.5.1)
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.1902.600
High resolution limit [Å]2.5002.500
Rmerge0.1651.659
Number of reflections23966
<I/σ(I)>70.9
Completeness [%]89.257.8
Redundancy4.24.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7295.1520 % (w/v) PEG 3350, 20 % (v/v) isopropanol, 0.1 M imidazole-HCl pH 7.0

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