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7PQN

Catalytic fragment of MASP-2 in complex with ecotin

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]100
Detector technologyCCD
Collection date2011-06-10
DetectorADSC QUANTUM 315r
Wavelength(s)0.97942
Spacegroup nameP 21 21 21
Unit cell lengths99.562, 102.746, 109.938
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.834 - 2.400
R-factor0.194207570392
Rwork0.192
R-free0.23289
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB structure 1AZZ and SP and CCP2 domains from pdb structure 1Q3X.
RMSD bond length0.007
RMSD bond angle0.883
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwarePHENIX (1.11.1_2575)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.500
High resolution limit [Å]2.4002.400
Rmeas0.0940.755
Number of reflections446995067
<I/σ(I)>13.5
Completeness [%]99.775.9
Redundancy5.33.52
CC(1/2)0.9980.994
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29317% (w/v) PEG 3350, 0.3M LiCl

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