3C0M
Crystal structure of the proaerolysin mutant Y221G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.82 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.618, 92.434, 169.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.560 - 2.880 |
| R-factor | 0.235 |
| Rwork | 0.199 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pre |
| RMSD bond length | 0.080 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.580 | 3.000 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.123 | 0.512 |
| Number of reflections | 24769 | |
| <I/σ(I)> | 10.39 | 2.24 |
| Completeness [%] | 91.7 | 67.4 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 291 | 9-11% PEG 4000, 100mM sodium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
