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8CW8

Laser Off Temperature-Jump XFEL structure of Lysozyme

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSACLA BEAMLINE BL3
Synchrotron siteSACLA
BeamlineBL3
Temperature [K]291
Detector technologyCCD
Collection date2017-11-29
DetectorMPCCD
Wavelength(s)1.2395
Spacegroup nameP 43 21 2
Unit cell lengths79.446, 79.446, 38.159
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.090 - 1.570
R-factor0.1481
Rwork0.146
R-free0.18300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1iee
RMSD bond length0.006
RMSD bond angle0.801
Data reduction softwarecctbx.xfel
Data scaling softwarecxi.merge
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.0901.600
High resolution limit [Å]1.5701.570
Number of reflections159394039912
<I/σ(I)>9.463
Completeness [%]100.0
Redundancy90.55
CC(1/2)0.9860.170
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE3291Lysozyme [20 mg/ml dissolved in 0.1 M sodium acetate at pH 3.0] mixed with precipitant [28% (w/v) NaCl, 8% (w/v) PEG6000 and 0.1 M sodium acetate at pH 3.0] in a 1:1 ratio

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