1UZI
C3 EXOENZYME FROM CLOSTRIDIUM BOTULINUM, TETRAGONAL FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-29 |
| Detector | ADSC CCD |
| Spacegroup name | I 4 |
| Unit cell lengths | 73.293, 73.293, 218.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.890 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g24 |
| RMSD bond length | 0.019 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.094 | 0.357 |
| Number of reflections | 41904 | |
| <I/σ(I)> | 15.3 | 4.4 |
| Completeness [%] | 91.6 | 91.8 |
| Redundancy | 16.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 18% PEG3350, 3% SAT. NA3VO4, 0.15M NACL,0.1M IMIDAZOLE/MALATE, PH5.5, pH 5.50 |
