4AFR
THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI
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 | 78.500, 49.923, 85.640 |
| Unit cell angles | 90.00, 117.09, 90.00 |
Refinement procedure
| Resolution | 76.250 - 1.600 |
| R-factor | 0.15803 |
| Rwork | 0.156 |
| R-free | 0.20140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4af8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.293 |
| 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] | 27.390 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.070 | 0.350 |
| Number of reflections | 38024 | |
| <I/σ(I)> | 13.1 | 4 |
| Completeness [%] | 97.5 | 88.9 |
| Redundancy | 4.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 50 MM HEPES PH 7.0, 0.1% TRYPTONE, 20% PEG 3350 |
