1F0L
1.55 ANGSTROM CRYSTAL STRUCTURE OF WILD TYPE DIPHTHERIA TOXIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1997-11-09 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 167.770, 134.880, 46.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.550 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mdt |
RMSD bond length | 0.008 |
RMSD bond angle | 0.023 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.620 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.057 | 0.285 |
Number of reflections | 149412 | |
<I/σ(I)> | 6.8 | 2.5 |
Completeness [%] | 97.0 | 81.5 |
Redundancy | 3.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2 MICROLITERS OF PROTEIN SOLUTION CONSISTING OF: 8 MG/ML WILD TYPE DIPHTHERIA TOXIN MONOMER + APUP, 0.5 MILLIMOLAR EDTA, 50 MILLIMOLAR TRIS-HCL, PH 7.5 PLUS 2 MICROLITERS OF RESERVIOR SOLUTION CONSISTING OF: 17% PEG 8000, 1 MOLAR SODIUM CHLORIDE, 50 MILLIMOLAR TRIS-HCL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |