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4LAN

Crystal structure of Cordyceps militaris IDCase H195A mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2013-03-26
DetectorRAYONIX MX225HE
Wavelength(s)0.9789
Spacegroup nameC 1 2 1
Unit cell lengths144.920, 56.440, 105.704
Unit cell angles90.00, 105.41, 90.00
Refinement procedure
Resolution36.320 - 1.750
R-factor0.1568
Rwork0.156
R-free0.17940
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4hk5
RMSD bond length0.004
RMSD bond angle0.987
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHENIX
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.810
High resolution limit [Å]1.7503.7701.750
Rmerge0.0570.0380.297
Number of reflections82427
<I/σ(I)>20.5
Completeness [%]98.893.898.1
Redundancy3.83.83.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1sitting drop5.628930% polyethylene glycol 4000, 0.2M NH4Ac, 0.1M sodium citrate, pH 5.6, sitting drop, temperature 289K

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