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5HVL

Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2015-02-07
DetectorRAYONIX MX300-HS
Wavelength(s)1
Spacegroup nameP 65 2 2
Unit cell lengths115.563, 115.563, 282.690
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution37.471 - 1.796
R-factor0.1794
Rwork0.179
R-free0.20590
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Candida albicans Tps1
RMSD bond length0.007
RMSD bond angle1.113
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX (1.8.4_1496)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.830
High resolution limit [Å]1.8004.8801.800
Rmerge0.0920.0640.666
Rmeas0.0980.0680.701
Rpim0.0320.0240.214
Total number of observations1073243
Number of reflections103765
<I/σ(I)>11.1
Completeness [%]99.693.7100
Redundancy10.38.210.7
CC(1/2)0.9960.926
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52980.2 M lithium sulfate, 0.1 M Tris, 40% PEG 400

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