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8XBO

Crystal structure of activity improved formolase variant K6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-12-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.987
Spacegroup nameI 2 2 2
Unit cell lengths97.899, 99.210, 111.214
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.600 - 2.530
R-factor0.19
Rwork0.187
R-free0.24440
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle0.816
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((1.20.1_4487: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.610
High resolution limit [Å]2.5205.4302.520
Rmerge0.2150.1120.558
Rmeas0.2210.1150.595
Rpim0.0500.0250.194
Total number of observations296739
Number of reflections1810919691582
<I/σ(I)>2.5
Completeness [%]97.899.986.3
Redundancy16.420.66.9
CC(1/2)0.9970.9980.842
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2980.1 M Na/K phosphate pH 6.2, 0.2 M NaCl, 36% (v/v) PEG-400

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