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

4D3M

Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(2-(4-methyl-6-(methylamino)pyridin-2-yl)ethyl)benzonitrile

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2013-09-19
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 2
Unit cell lengths80.380, 95.697, 63.070
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution52.662 - 1.741
R-factor0.1678
Rwork0.167
R-free0.18780
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4lwa
RMSD bond length0.007
RMSD bond angle1.222
Data reduction softwareMOSFLM
Data scaling softwareAimless
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.6601.770
High resolution limit [Å]1.7401.740
Rmerge0.0800.400
Number of reflections50162
<I/σ(I)>10.62.3
Completeness [%]99.394.8
Redundancy4.93.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.629860 MM BIS-TRIS METHANE, 40 MM CITRIC ACID, 20% PEG3350, 1.9% 1-PROPANOL, PH 7.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon