1DKI
CRYSTAL STRUCTURE OF THE ZYMOGEN FORM OF STREPTOCOCCAL PYROGENIC EXOTOXIN B ACTIVE SITE (C47S) MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-05-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.664, 116.556, 144.726 |
| Unit cell angles | 90.00, 94.17, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.24500 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.044 | 0.279 |
| Number of reflections | 168512 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 83.1 | 48.1 |
| Redundancy | 2.1 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 298 | 0.2M Ammonium sulfate, 0.1M Formic acid pH4.2, 16%PEG4000, 4%PEG8000, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14.6 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | azide | 0.02 (%) | |
| 4 | 1 | reservoir | PEG4000 | 16 (%) | |
| 5 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 6 | 1 | reservoir | formic acid | 0.1 (M) |
