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7PA4

Crystal structure of CD73 in complex with CMP in the open form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyCCD
Collection date2016-06-23
DetectorRAYONIX MX-225
Wavelength(s)0.9184
Spacegroup nameP 21 21 2
Unit cell lengths67.569, 131.676, 66.493
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.440 - 1.450
R-factor0.1207
Rwork0.118
R-free0.16090
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4h2g
RMSD bond length0.015
RMSD bond angle1.914
Data reduction softwareXDS
Data scaling softwareAimless (0.7.4)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]47.44047.3901.480
High resolution limit [Å]1.4507.9501.450
Rmerge0.0710.0320.629
Rmeas0.0780.0350.771
Rpim0.0310.0150.428
Total number of observations417810006
Number of reflections994357513323
<I/σ(I)>16.948.21.9
Completeness [%]94.399.264.7
Redundancy5.95.63
CC(1/2)0.9990.9990.600
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.82927 mg/mL protein concentration, 100 mM Tris pH 7.8, 10 % PEG6000, equal amounts of protein and reservoir. Following crystal formation (1-2 days), the crystals were transferred to soaking solution containing reservoir solution and 100 mM CMP. Crystals were then transferred to cryo solution containing an additional 20 % glycerol, soaked for ~2-5 min, and flash frozen in liquid nitrogen.

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