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4WTB

BthTX-I, a svPLA2s-like toxin, complexed with zinc ions

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsLNLS BEAMLINE D03B-MX1
Synchrotron siteLNLS
BeamlineD03B-MX1
Temperature [K]80
Detector technologyCCD
Collection date2011-09-15
DetectorMAR CCD 165 mm
Wavelength(s)1.608
Spacegroup nameP 31 2 1
Unit cell lengths56.580, 56.580, 129.530
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution45.830 - 2.160
R-factor0.1927
Rwork0.191
R-free0.23390
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3hzd
RMSD bond length0.004
RMSD bond angle0.883
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.8402.280
High resolution limit [Å]2.1602.160
Number of reflections13020
<I/σ(I)>13.172.02
Completeness [%]96.599.6
Redundancy3.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5293Reservoir solution: 0.1 M TRIS HCl pH 8.5, 30% PEG4k and 0.1M LiSO4 Drop set up: 0.8 uL of protein (10.1 mg/mL), 0.09 uL of ZnCl2 (1 M), 0.32 uL of MnSO4 (12.5 mM) and 0.48 uL of reservoir solution
2VAPOR DIFFUSION, HANGING DROP8.5293Reservoir solution: 0.1 M TRIS HCl pH 8.5, 30% PEG4k and 0.1M LiSO4 Drop set up: 0.8 uL of protein (10.1 mg/mL), 0.09 uL of ZnCl2 (1 M), 0.32 uL of MnSO4 (12.5 mM) and 0.48 uL of reservoir solution

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PDB entries from 2025-10-15

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