Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3RQP

Structure of the endothelial nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2008-11-23
DetectorADSC QUANTUM 315
Wavelength(s)0.98085
Spacegroup nameP 21 21 21
Unit cell lengths57.949, 106.629, 156.909
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.430 - 2.350
R-factor0.18038
Rwork0.178
R-free0.22811
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1nse
RMSD bond length0.014
RMSD bond angle1.522
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareREFMAC
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.390
High resolution limit [Å]2.3502.350
Rmerge0.0860.666
Number of reflections41301
<I/σ(I)>13.81.5
Completeness [%]99.599.2
Redundancy3.63.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.527812-14% PEG3350, 0.1M Cacodylate, 0.2M magnesium acetate, 5mM TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K

217705

數據於2024-03-27公開中

PDB statisticsPDBj update infoContact PDBjnumon