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7XMJ

Crystal structure of carbohydrate esterase family 7 acetyl xylan esterase

Replaces:  7CUZ
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-12-02
DetectorDECTRIS PILATUS3 R CdTe 300K
Wavelength(s)0.9788
Spacegroup nameP 63
Unit cell lengths147.714, 147.714, 135.389
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution35.480 - 2.411
R-factor0.249672053675
Rwork0.248
R-free0.28024
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3fcy
RMSD bond length0.003
RMSD bond angle0.634
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (dev_2474)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.48049.915
High resolution limit [Å]2.4106.850
Rmerge0.1090.287
Rmeas0.111
Number of reflections644792736
<I/σ(I)>24.9
Completeness [%]100.0
Redundancy8.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2931.2M ammonium sulfate, 0.075M MES monohydrate pH 6.5, 7.5% (v/v) 1,4-Dioxane, 25% (v/v) Glycerol

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