4AFV
THE STRUCTURE OF METACASPASE 2 FROM T. BRUCEI DETERMINED IN THE PRESENCE OF CALCIUM CHLORIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-20 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.600, 49.894, 85.534 |
| Unit cell angles | 90.00, 117.17, 90.00 |
Refinement procedure
| Resolution | 76.100 - 1.500 |
| R-factor | 0.15405 |
| Rwork | 0.152 |
| R-free | 0.18452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4af8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.267 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.380 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.130 |
| Number of reflections | 45982 | |
| <I/σ(I)> | 16.4 | 6.1 |
| Completeness [%] | 97.3 | 91 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 50 MM HEPES PH 7.0, 0.1% TRYPTONE, 20% PEG 3350. CRYSTAL SOAKING FOR 1HR IN 5MM CACL2. |
