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1S36

Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of the calcium trigger and the bioluminescence

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyCCD
Collection date2002-11-20
DetectorBRUKER SMART 6000
Wavelength(s)1.5418
Spacegroup nameP 41 21 2
Unit cell lengths53.445, 53.445, 144.032
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 1.960
R-factor0.22459
Rwork0.223
R-free0.25922
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1jf2
RMSD bond length0.012
RMSD bond angle1.207
Data reduction softwarePROTEUM PLUS
Data scaling softwareLSCALE
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]72.4602.050
High resolution limit [Å]1.9601.960
Number of reflections15775
<I/σ(I)>9.372.11
Completeness [%]1.00.97
Redundancy14.91
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1modified microbatch7.52771.5 M tri-sodium citrate, 0.1 M Na-HEPES, pH 7.5, modified microbatch, temperature 277K

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