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4CAS

Serial femtosecond crystallography structure of a photosynthetic reaction center

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSLAC LCLS BEAMLINE CXI
Synchrotron siteSLAC LCLS
BeamlineCXI
Temperature [K]293
Detector technologyPIXEL
Collection date2011-02-19
DetectorCS-PAD CXI-1
Wavelength(s)1.32
Spacegroup nameP 21 21 21
Unit cell lengths57.900, 84.800, 384.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.640 - 3.500
R-factor0.29639
Rwork0.295
R-free0.32903
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2wjn
RMSD bond length0.022
RMSD bond angle1.974
Data reduction softwareCrystFEL
Data scaling softwareCrystFEL
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.590
High resolution limit [Å]1.4803.500
Number of reflections23496
<I/σ(I)>3.52
Completeness [%]99.199.6
Redundancy2726.6
CC(1/2)0.5400.320
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.1BATCH CRYSTALLIZATIONS WERE SET UP IN SEPTUM-SEALED GLASS VIALS CONTAINING 100 UL PROTEIN (30-35 MG/ML), 100 UL LIPIDIC SPONGE PHASE (12 % MONOOLEIN, 17.5 % JEFFAMINE M 600, 1.0 M HEPES PH 8.0, 0.7 M (NH4)2SO4, 2.5 % 1,2,3- HEPTANETRIOL) AND 100 UL 1.0-1.2 M TRI-SODIUM CITRATE

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