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3RCH

Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the open conformation with LLP and PLP bound to Chain-A and Chain-B respectively

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]100
Detector technologyCCD
Collection date2010-11-20
DetectorADSC QUANTUM 4r
Wavelength(s)0.934
Spacegroup nameP 41 21 2
Unit cell lengths177.000, 177.000, 74.830
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 2.800
R-factor0.2034
Rwork0.201
R-free0.25860
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3rbf
RMSD bond length0.011
RMSD bond angle1.326
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.16)
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]125.15849.0912.950
High resolution limit [Å]2.8008.8502.800
Rmerge0.0420.612
Total number of observations649430833
Number of reflections29907
<I/σ(I)>13.613.81.2
Completeness [%]100.099.4100
Redundancy7.167.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K
1vapor diffusion, soaking7294crystals obtained from holoAADC in 0.1 M HEPES pH 7.0, 28-30% Jeffamine ED 2001 pH 7.0 were transferred in a ML droplet containing 10mM PLP to yield crystals with PLP and LLP bound, vapor diffusion, soaking, temperature 294K

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