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4CLT

Crystal structure of human soluble Adenylyl Cyclase with adenosine-3', 5'-cyclic-monophosphate and pyrophosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-10-23
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 63
Unit cell lengths100.970, 100.970, 97.210
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution87.440 - 1.950
R-factor0.17571
Rwork0.173
R-free0.22015
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4clf
RMSD bond length0.020
RMSD bond angle2.063
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]87.4402.000
High resolution limit [Å]1.9501.950
Rmerge0.0900.630
Number of reflections40997
<I/σ(I)>11.32.1
Completeness [%]100.0100
Redundancy44.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
160.1 M SODIUM ACETATE PH 4.8, 0.2 M TRI-SODIUM-CITRATE, 15% (W/V) PEG 4000, 10% (V/V) GLYCEROL

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