Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

9E0A

Structure of proline utilization A complexed with 1,4-benzenedimethanol

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.1
Synchrotron siteALS
Beamline8.2.1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-12-16
DetectorDECTRIS EIGER2 S 9M
Wavelength(s)1.00008
Spacegroup nameP 1 21 1
Unit cell lengths100.715, 102.066, 126.176
Unit cell angles90.00, 106.38, 90.00
Refinement procedure
Resolution47.030 - 1.390
R-factor0.1728
Rwork0.172
R-free0.19090
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.005
RMSD bond angle0.912
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.21rc1_5156)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.3101.410
High resolution limit [Å]1.3901.390
Rmerge0.0742.493
Rmeas0.0802.694
Rpim0.0301.009
Total number of observations161024
Number of reflections94655723190
<I/σ(I)>13.50.7
Completeness [%]98.3
Redundancy76.9
CC(1/2)0.9970.332
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293Reservoir contained 0.1 M HEPES, pH 7.5, 0.1 M sodium formate, 0.1 M magnesium chloride, 0.2 M ammonium sulfate, and 18% (w/v) PEG 3350. Enzyme was incubated with 24 mM 1,4-benzenedimethanol. Crystal was soaked in cryobuffer containing 50 mM 1,4-benzenedimethanol and 20% PEG 200

231029

PDB entries from 2025-02-05

PDB statisticsPDBj update infoContact PDBjnumon