3W9T
pore-forming CEL-III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-10-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 219.800, 228.650, 133.020 |
| Unit cell angles | 90.00, 127.13, 90.00 |
Refinement procedure
| Resolution | 48.200 - 2.900 |
| R-factor | 0.24108 |
| Rwork | 0.239 |
| R-free | 0.27305 |
| Structure solution method | SIR |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.595 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.500 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.100 | 0.411 |
| Number of reflections | 113863 | |
| <I/σ(I)> | 7.1 | 2 |
| Completeness [%] | 98.6 | 99.3 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.2 | 293 | 30% PEG400, 0.1M CdCl2, 0.1M sodium acetate, 10mM CaCl2, 0.1M lactulose, pH 4.2, VAPOR DIFFUSION, temperature 293K |
