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 |